 Entering Gaussian System, Link 0=g16
 Input=36c_RhEn3-lelob2_STD_M11-augccpVDZr.in
 Output=36c_RhEn3-lelob2_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/36c_RhEn3-lelob2_STD/Gau-26896.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/36c_RhEn3-lelob2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     26897.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36c_RhEn3-lelob2_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:38:50 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36c_RhEn3-lelob2_STD_M11-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.882333000000      0.078868000000     -0.751096000000
  C                                                -2.883637000000     -0.089617000000      0.748561000000
  N                                                -1.604578000000     -0.773888000000      1.152492000000
  Rh                                                0.000181000000      0.000116000000      0.000562000000
  N                                                 1.496894000000      0.977942000000     -1.143379000000
  C                                                 2.016113000000      2.164980000000     -0.376616000000
  C                                                 0.851421000000      2.839270000000      0.306893000000
  N                                                 0.108865000000      1.805044000000      1.109170000000
  N                                                -1.605762000000      0.769395000000     -1.151895000000
  N                                                 1.498354000000     -0.974746000000      1.144883000000
  C                                                 2.023540000000     -2.157905000000      0.376178000000
  C                                                 0.862316000000     -2.836237000000     -0.309308000000
  N                                                 0.114723000000     -1.803750000000     -1.109148000000
  H                                                 2.746689000000      1.805009000000      0.348651000000
  H                                                 2.534073000000      2.852953000000     -1.045694000000
  H                                                 0.159478000000      3.264331000000     -0.421261000000
  H                                                 1.187267000000      3.652750000000      0.950911000000
  H                                                 0.172399000000     -3.266690000000      0.417566000000
  H                                                 1.202417000000     -3.646338000000     -0.955343000000
  H                                                 2.752960000000     -1.793209000000     -0.347870000000
  H                                                 2.544317000000     -2.844721000000      1.044258000000
  H                                                 2.285191000000     -0.385753000000      1.415804000000
  H                                                 1.112276000000     -1.308266000000      2.028366000000
  H                                                -0.783947000000     -2.191995000000     -1.394149000000
  H                                                 0.611614000000     -1.648380000000     -1.986518000000
  H                                                -1.721936000000      1.772878000000     -1.012515000000
  H                                                -1.479542000000      0.662744000000     -2.158404000000
  H                                                -0.791007000000      2.190068000000      1.394742000000
  H                                                 0.607425000000      1.652565000000      1.986087000000
  H                                                 2.286557000000      0.391334000000     -1.411120000000
  H                                                 1.111518000000      1.307831000000     -2.028554000000
  H                                                -2.916638000000     -0.885119000000     -1.259574000000
  H                                                -3.746888000000      0.653215000000     -1.085607000000
  H                                                -3.746060000000     -0.668259000000      1.081160000000
  H                                                -2.923915000000      0.874214000000      1.256925000000
  H                                                -1.480078000000     -0.664291000000      2.158900000000
  H                                                -1.716296000000     -1.778222000000      1.015422000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 21:38:51 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078868   -0.751096
      2          6           0       -2.883637   -0.089617    0.748561
      3          7           0       -1.604578   -0.773888    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496894    0.977942   -1.143379
      6          6           0        2.016113    2.164980   -0.376616
      7          6           0        0.851421    2.839270    0.306893
      8          7           0        0.108865    1.805044    1.109170
      9          7           0       -1.605762    0.769395   -1.151895
     10          7           0        1.498354   -0.974746    1.144883
     11          6           0        2.023540   -2.157905    0.376178
     12          6           0        0.862316   -2.836237   -0.309308
     13          7           0        0.114723   -1.803750   -1.109148
     14          1           0        2.746689    1.805009    0.348651
     15          1           0        2.534073    2.852953   -1.045694
     16          1           0        0.159478    3.264331   -0.421261
     17          1           0        1.187267    3.652750    0.950911
     18          1           0        0.172399   -3.266690    0.417566
     19          1           0        1.202417   -3.646338   -0.955343
     20          1           0        2.752960   -1.793209   -0.347870
     21          1           0        2.544317   -2.844721    1.044258
     22          1           0        2.285191   -0.385753    1.415804
     23          1           0        1.112276   -1.308266    2.028366
     24          1           0       -0.783947   -2.191995   -1.394149
     25          1           0        0.611614   -1.648380   -1.986518
     26          1           0       -1.721936    1.772878   -1.012515
     27          1           0       -1.479542    0.662744   -2.158404
     28          1           0       -0.791007    2.190068    1.394742
     29          1           0        0.607425    1.652565    1.986087
     30          1           0        2.286557    0.391334   -1.411120
     31          1           0        1.111518    1.307831   -2.028554
     32          1           0       -2.916638   -0.885119   -1.259574
     33          1           0       -3.746888    0.653215   -1.085607
     34          1           0       -3.746060   -0.668259    1.081160
     35          1           0       -2.923915    0.874214    1.256925
     36          1           0       -1.480078   -0.664291    2.158900
     37          1           0       -1.716296   -1.778222    1.015422
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509092   0.000000
     3  N    2.446119   1.505782   0.000000
     4  Rh   2.979946   2.980597   2.121621   0.000000
     5  N    4.487744   4.889598   4.237813   2.122474   0.000000
     6  C    5.337309   5.509699   4.907598   2.982093   1.505514
     7  C    4.762361   4.766981   4.449930   2.979806   2.446317
     8  N    3.922695   3.560175   3.096555   2.120988   2.772129
     9  N    1.505690   2.445935   2.773432   2.121085   3.109669
    10  N    4.888278   4.488025   3.109435   2.122345   3.008178
    11  C    5.508311   5.338246   3.959976   2.981966   3.524194
    12  C    4.766069   4.763945   3.532097   2.980637   3.955544
    13  N    3.557358   3.921670   3.021858   2.120969   3.106345
    14  H    5.989566   5.953999   5.121562   3.304862   2.114753
    15  H    6.092601   6.421032   5.925743   3.956506   2.144982
    16  H    4.416852   4.677392   4.679295   3.295210   2.745489
    17  H    5.677244   5.533400   5.237381   3.956523   3.411234
    18  H    4.678666   4.420713   3.148305   3.297813   4.712509
    19  H    5.532094   5.678855   4.535764   3.956735   4.637460
    20  H    5.951789   5.989625   4.719983   3.303818   3.144808
    21  H    6.420218   6.094319   4.638253   3.956643   4.527207
    22  H    5.622689   5.220124   3.917944   2.715341   3.005078
    23  H    5.060282   4.369248   2.904137   2.657180   3.928695
    24  H    3.158094   3.663318   3.028175   2.713932   3.913262
    25  H    4.088682   4.703954   3.940765   2.653277   2.896924
    26  H    2.069911   2.814218   3.344704   2.671085   3.318119
    27  H    2.071050   3.314812   3.611312   2.699961   3.160506
    28  H    3.665437   3.161268   3.083118   2.713965   3.625714
    29  H    4.706071   4.093187   3.387553   2.653609   3.322624
    30  H    5.220219   5.623739   4.803205   2.715403   1.019491
    31  H    4.369565   5.062262   4.672236   2.657536   1.020233
    32  H    1.090412   2.160213   2.748079   3.298396   4.792052
    33  H    1.090517   2.158975   3.411041   3.955607   5.254145
    34  H    2.159024   1.090515   2.145272   3.955849   5.928500
    35  H    2.160197   1.090425   2.113716   3.300429   5.031478
    36  H    3.314616   2.071059   1.019985   2.700190   4.739656
    37  H    2.815850   2.070093   1.019782   2.671838   4.751995
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509423   0.000000
     8  N    2.444322   1.504879   0.000000
     9  N    3.958117   3.528483   3.020750   0.000000
    10  N    3.527168   3.958215   3.107923   4.237069   0.000000
    11  C    4.387948   5.133266   4.461863   4.906722   1.505521
    12  C    5.133025   5.708870   4.911340   4.449938   2.446296
    13  N    4.461245   4.909738   4.236079   3.095637   2.771703
    14  H    1.090565   2.159509   2.745269   4.718894   3.149502
    15  H    1.090530   2.158934   3.409279   4.635809   4.530190
    16  H    2.158161   1.090720   2.115254   3.142388   4.713297
    17  H    2.159346   1.090551   2.145231   4.531726   4.641995
    18  H    5.790772   6.144597   5.119066   4.681351   2.745934
    19  H    5.896477   6.616612   5.930905   5.236717   3.411148
    20  H    4.026292   5.050191   4.696981   5.119751   2.114765
    21  H    5.234022   5.976400   5.249377   5.925207   2.144987
    22  H    3.129123   3.699480   3.103226   4.802808   1.019521
    23  H    4.320220   4.498174   3.397713   4.671024   1.020213
    24  H    5.278157   5.557122   4.800004   3.082839   3.624538
    25  H    4.371054   5.045418   4.664995   3.385113   3.323517
    26  H    3.811971   3.082239   2.802573   1.019756   4.751218
    27  H    4.201319   4.030923   3.808533   1.019983   4.739298
    28  H    3.319377   2.074234   1.019590   3.027788   3.914033
    29  H    2.798095   2.070627   1.020194   3.940193   2.898990
    30  H    2.071028   3.317164   3.618395   3.919219   3.003430
    31  H    2.069274   2.804865   3.331343   2.905521   3.928168
    32  H    5.866409   5.524777   4.690586   2.113624   5.028081
    33  H    6.000024   5.278479   4.583731   2.145300   5.927724
    34  H    6.584451   5.834302   4.580225   3.410903   5.253748
    35  H    5.360822   4.360868   3.175851   2.747895   4.794546
    36  H    5.163039   4.597908   3.118379   3.610071   3.161593
    37  H    5.605131   5.330705   4.022412   3.346615   3.316068
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509459   0.000000
    13  N    2.444423   1.504882   0.000000
    14  H    4.028448   5.052221   4.698464   0.000000
    15  H    5.233647   5.975276   5.248063   1.757154   0.000000
    16  H    5.788893   6.141941   5.114747   3.068558   2.489548
    17  H    5.898592   6.618210   5.930226   2.491718   2.537714
    18  H    2.158203   1.090698   2.115272   5.688044   6.720764
    19  H    2.159311   1.090547   2.145196   5.813980   6.634927
    20  H    1.090551   2.159613   2.745897   3.665018   4.703370
    21  H    1.090530   2.159014   3.409356   4.705828   6.068896
    22  H    2.071185   3.317447   3.618982   2.480168   4.075553
    23  H    2.069303   2.803907   3.329356   3.896823   5.365361
    24  H    3.319217   2.074153   1.019592   5.610596   6.048320
    25  H    2.799193   2.070480   1.020205   4.683744   4.984275
    26  H    5.604294   5.330741   4.021806   4.671447   4.391045
    27  H    5.162533   4.598513   3.118687   5.044911   4.705767
    28  H    5.278638   5.558867   4.800041   3.709160   4.177475
    29  H    4.372284   5.048084   4.665763   2.698312   3.787427
    30  H    3.124457   3.695899   3.102651   2.303691   2.500874
    31  H    4.315767   4.493463   3.394237   2.927810   2.318853
    32  H    5.357334   4.357793   3.171066   6.472747   6.612804
    33  H    6.583088   5.832982   4.577037   6.749094   6.655142
    34  H    6.000361   5.279267   4.581750   6.986373   7.507497
    35  H    5.869137   5.527755   4.690748   5.817825   6.245566
    36  H    4.205273   4.036856   3.810760   5.219196   6.225258
    37  H    3.813026   3.086024   2.804832   5.762149   6.615256
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757861   0.000000
    18  H    6.584682   7.013777   0.000000
    19  H    7.009302   7.543919   1.757825   0.000000
    20  H    5.684210   5.813493   3.068605   2.491444   0.000000
    21  H    6.719801   6.638330   2.489336   2.538048   1.757051
    22  H    4.606146   4.210828   3.709470   4.174464   2.304406
    23  H    5.274196   5.077225   2.704343   3.791731   2.928056
    24  H    5.622104   6.598942   2.313413   2.500661   3.709911
    25  H    5.175827   6.087844   2.931119   2.324695   2.700279
    26  H    2.472596   3.981510   5.570537   6.158166   5.760506
    27  H    3.531615   5.071474   4.980460   5.216172   5.217644
    28  H    2.314159   2.499999   5.626654   6.600021   5.609179
    29  H    2.931513   2.325628   5.181561   6.089696   4.682311
    30  H    3.709231   4.174262   4.603791   4.205459   2.473916
    31  H    2.705118   3.792307   5.271782   5.069895   3.890434
    32  H    5.232895   6.505424   4.245801   4.968249   5.813792
    33  H    4.745416   6.122949   5.743344   6.557343   6.984073
    34  H    5.742452   6.559405   4.748318   6.124028   6.748696
    35  H    4.246914   4.971491   5.238203   6.508159   6.474367
    36  H    4.977896   5.216398   3.540537   5.078080   5.047471
    37  H    5.568656   6.158758   2.477930   3.986560   4.672584
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.500343   0.000000
    23  H    2.319462   1.613069   0.000000
    24  H    4.177226   4.536293   4.011265   0.000000
    25  H    3.788427   3.996359   4.060250   1.610593   0.000000
    26  H    6.614639   5.158826   5.174279   4.092149   4.254309
    27  H    6.225014   5.295991   5.303908   3.036029   3.121502
    28  H    6.049490   4.012268   4.032655   5.194270   5.304144
    29  H    4.986399   2.700900   3.003861   5.304956   5.165060
    30  H    4.070304   2.931785   4.012186   4.012714   2.701287
    31  H    5.360856   4.013644   4.827273   4.030389   2.998475
    32  H    6.242572   5.870778   5.217447   2.504876   3.682333
    33  H    7.506740   6.612298   6.095548   4.119398   5.010541
    34  H    6.656365   6.047130   4.991016   4.150065   5.418543
    35  H    6.616439   5.361674   4.652868   4.583590   5.420643
    36  H    4.710887   3.847990   2.674330   3.929712   4.746377
    37  H    4.392161   4.255722   3.041009   2.616585   3.801009
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613758   0.000000
    28  H    2.614491   3.928313   0.000000
    29  H    3.798949   4.744679   1.610655   0.000000
    30  H    4.258587   3.849104   4.536486   3.993896   0.000000
    31  H    3.045828   2.673311   4.014586   4.060824   1.613043
    32  H    2.924602   2.295435   4.584809   5.421547   5.359621
    33  H    2.315042   2.508354   4.153466   5.421628   6.047892
    34  H    3.799961   4.171744   4.123191   5.015770   6.612614
    35  H    2.720792   3.714217   2.509933   3.688885   5.873726
    36  H    4.007014   4.516651   3.034159   3.123356   5.295935
    37  H    4.089361   4.010927   4.092355   4.255839   5.159255
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.650419   0.000000
    33  H    4.992172   1.756716   0.000000
    34  H    6.096828   2.492791   2.537947   0.000000
    35  H    5.221792   3.070517   2.492706   1.756712   0.000000
    36  H    5.304753   3.714624   4.171460   2.509226   2.294607
    37  H    5.175524   2.722877   3.801251   2.314364   2.924395
                   36         37
    36  H    0.000000
    37  H    1.613748   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.02D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078865   -0.751096
      2          6           0       -2.883637   -0.089620    0.748561
      3          7           0       -1.604577   -0.773890    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496893    0.977944   -1.143379
      6          6           0        2.016110    2.164982   -0.376616
      7          6           0        0.851418    2.839271    0.306893
      8          7           0        0.108863    1.805044    1.109170
      9          7           0       -1.605763    0.769393   -1.151895
     10          7           0        1.498355   -0.974744    1.144883
     11          6           0        2.023542   -2.157903    0.376178
     12          6           0        0.862319   -2.836236   -0.309308
     13          7           0        0.114725   -1.803750   -1.109148
     14          1           0        2.746687    1.805012    0.348651
     15          1           0        2.534070    2.852956   -1.045694
     16          1           0        0.159474    3.264331   -0.421261
     17          1           0        1.187263    3.652751    0.950911
     18          1           0        0.172403   -3.266690    0.417566
     19          1           0        1.202421   -3.646337   -0.955343
     20          1           0        2.752962   -1.793206   -0.347870
     21          1           0        2.544320   -2.844718    1.044258
     22          1           0        2.285191   -0.385750    1.415804
     23          1           0        1.112277   -1.308265    2.028366
     24          1           0       -0.783944   -2.191996   -1.394149
     25          1           0        0.611616   -1.648379   -1.986518
     26          1           0       -1.721938    1.772876   -1.012515
     27          1           0       -1.479543    0.662742   -2.158404
     28          1           0       -0.791010    2.190067    1.394742
     29          1           0        0.607423    1.652566    1.986087
     30          1           0        2.286556    0.391337   -1.411120
     31          1           0        1.111516    1.307832   -2.028554
     32          1           0       -2.916637   -0.885122   -1.259574
     33          1           0       -3.746889    0.653211   -1.085607
     34          1           0       -3.746059   -0.668263    1.081160
     35          1           0       -2.923916    0.874211    1.256925
     36          1           0       -1.480077   -0.664293    2.158900
     37          1           0       -1.716294   -1.778224    1.015422
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7085492           0.6964051           0.4626614
 Leave Link  202 at Thu Jul  8 21:38:51 2021, MaxMem= 10737418240 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.3219182307 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 21:38:54 2021, MaxMem= 10737418240 cpu:              41.2 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29880 LenP2D=  115104.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.19D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul  8 21:38:57 2021, MaxMem= 10737418240 cpu:              31.4 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:38:57 2021, MaxMem= 10737418240 cpu:               3.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36c_RhEn3-lelob2_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:38:59 2021, MaxMem= 10737418240 cpu:              22.6 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.531401431382    
 DIIS: error= 6.47D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.531401431382     IErMin= 1 ErrMin= 6.47D-02
 ErrMax= 6.47D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-01 BMatP= 1.16D-01
 IDIUse=3 WtCom= 3.53D-01 WtEn= 6.47D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 GapD=    0.445 DampG=2.000 DampE=0.250 DampFc=0.5000 IDamp=-1.
 Damping current iteration by 5.00D-01
 RMSDP=1.52D-02 MaxDP=4.51D+00              OVMax= 3.42D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.57D-03    CP:  1.16D+00
 E= -680.545848607675     Delta-E=       -0.014447176293 Rises=F Damp=T
 DIIS: error= 3.30D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.545848607675     IErMin= 2 ErrMin= 3.30D-02
 ErrMax= 3.30D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-02 BMatP= 1.16D-01
 IDIUse=3 WtCom= 6.70D-01 WtEn= 3.30D-01
 Coeff-Com: -0.920D+00 0.192D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.617D+00 0.162D+01
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=1.16D-02 MaxDP=3.90D+00 DE=-1.44D-02 OVMax= 1.75D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.22D-03    CP:  1.43D+00  2.42D+00
 E= -680.560178230681     Delta-E=       -0.014329623006 Rises=F Damp=F
 DIIS: error= 3.01D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.560178230681     IErMin= 3 ErrMin= 3.01D-03
 ErrMax= 3.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.20D-03 BMatP= 3.05D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.01D-02
 Coeff-Com: -0.495D+00 0.959D+00 0.536D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.480D+00 0.930D+00 0.550D+00
 Gap=     0.452 Goal=   None    Shift=    0.000
 RMSDP=8.65D-04 MaxDP=2.79D-01 DE=-1.43D-02 OVMax= 1.49D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.17D-04    CP:  1.41D+00  2.41D+00  7.14D-01
 E= -680.563016008821     Delta-E=       -0.002837778140 Rises=F Damp=F
 DIIS: error= 4.94D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.563016008821     IErMin= 4 ErrMin= 4.94D-04
 ErrMax= 4.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-04 BMatP= 4.20D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.94D-03
 Coeff-Com:  0.748D-02-0.198D-01 0.159D+00 0.853D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.744D-02-0.197D-01 0.159D+00 0.854D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=5.10D-04 MaxDP=1.78D-01 DE=-2.84D-03 OVMax= 2.48D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.67D-05    CP:  1.43D+00  2.44D+00  8.49D-01  9.64D-01
 E= -680.563169513262     Delta-E=       -0.000153504441 Rises=F Damp=F
 DIIS: error= 6.35D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.563169513262     IErMin= 5 ErrMin= 6.35D-05
 ErrMax= 6.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.80D-06 BMatP= 1.93D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.693D-01-0.136D+00-0.332D-01 0.141D+00 0.958D+00
 Coeff:      0.693D-01-0.136D+00-0.332D-01 0.141D+00 0.958D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.71D-04 MaxDP=6.09D-02 DE=-1.54D-04 OVMax= 1.06D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.20D-05    CP:  1.43D+00  2.46D+00  8.95D-01  9.65D-01  1.09D+00
 E= -680.563180459010     Delta-E=       -0.000010945748 Rises=F Damp=F
 DIIS: error= 2.04D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.563180459010     IErMin= 6 ErrMin= 2.04D-05
 ErrMax= 2.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.35D-07 BMatP= 5.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.165D-01-0.319D-01-0.178D-01-0.278D-01 0.289D+00 0.772D+00
 Coeff:      0.165D-01-0.319D-01-0.178D-01-0.278D-01 0.289D+00 0.772D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.10D-05 MaxDP=2.44D-03 DE=-1.09D-05 OVMax= 2.67D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.19D-06    CP:  1.43D+00  2.46D+00  8.94D-01  9.66D-01  1.15D+00
                    CP:  9.22D-01
 E= -680.563181329084     Delta-E=       -0.000000870074 Rises=F Damp=F
 DIIS: error= 8.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.563181329084     IErMin= 7 ErrMin= 8.46D-06
 ErrMax= 8.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.11D-08 BMatP= 7.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.639D-02 0.126D-01 0.163D-02-0.331D-01-0.666D-01 0.204D+00
 Coeff-Com:  0.888D+00
 Coeff:     -0.639D-02 0.126D-01 0.163D-02-0.331D-01-0.666D-01 0.204D+00
 Coeff:      0.888D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=7.83D-06 MaxDP=1.75D-03 DE=-8.70D-07 OVMax= 9.33D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.26D-06    CP:  1.43D+00  2.46D+00  8.94D-01  9.61D-01  1.17D+00
                    CP:  9.56D-01  1.21D+00
 E= -680.563181448757     Delta-E=       -0.000000119673 Rises=F Damp=F
 DIIS: error= 1.84D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.563181448757     IErMin= 8 ErrMin= 1.84D-06
 ErrMax= 1.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.55D-09 BMatP= 9.11D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.311D-02 0.612D-02 0.166D-02-0.108D-01-0.398D-01 0.242D-01
 Coeff-Com:  0.281D+00 0.741D+00
 Coeff:     -0.311D-02 0.612D-02 0.166D-02-0.108D-01-0.398D-01 0.242D-01
 Coeff:      0.281D+00 0.741D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.11D-06 MaxDP=9.53D-05 DE=-1.20D-07 OVMax= 1.70D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.83D-07    CP:  1.43D+00  2.46D+00  8.94D-01  9.60D-01  1.17D+00
                    CP:  9.67D-01  1.26D+00  9.73D-01
 E= -680.563181456221     Delta-E=       -0.000000007464 Rises=F Damp=F
 DIIS: error= 6.03D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.563181456221     IErMin= 9 ErrMin= 6.03D-07
 ErrMax= 6.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.76D-10 BMatP= 6.55D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-03-0.617D-03 0.128D-03 0.244D-02 0.239D-02-0.203D-01
 Coeff-Com: -0.668D-01 0.103D+00 0.979D+00
 Coeff:      0.311D-03-0.617D-03 0.128D-03 0.244D-02 0.239D-02-0.203D-01
 Coeff:     -0.668D-01 0.103D+00 0.979D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=4.93D-07 MaxDP=1.13D-04 DE=-7.46D-09 OVMax= 1.10D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.95D-07    CP:  1.43D+00  2.46D+00  8.94D-01  9.60D-01  1.18D+00
                    CP:  9.63D-01  1.29D+00  1.05D+00  1.08D+00
 E= -680.563181457072     Delta-E=       -0.000000000851 Rises=F Damp=F
 DIIS: error= 3.59D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.563181457072     IErMin=10 ErrMin= 3.59D-07
 ErrMax= 3.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-11 BMatP= 3.76D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.147D-03-0.288D-03-0.112D-03 0.492D-03 0.206D-02-0.393D-03
 Coeff-Com: -0.101D-01-0.483D-01-0.585D-01 0.111D+01
 Coeff:      0.147D-03-0.288D-03-0.112D-03 0.492D-03 0.206D-02-0.393D-03
 Coeff:     -0.101D-01-0.483D-01-0.585D-01 0.111D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.09D-07 MaxDP=2.32D-05 DE=-8.51D-10 OVMax= 6.05D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.81D-08    CP:  1.43D+00  2.46D+00  8.94D-01  9.60D-01  1.18D+00
                    CP:  9.62D-01  1.29D+00  1.06D+00  1.10D+00  1.19D+00
 E= -680.563181457228     Delta-E=       -0.000000000157 Rises=F Damp=F
 DIIS: error= 2.06D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.563181457228     IErMin=11 ErrMin= 2.06D-07
 ErrMax= 2.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-11 BMatP= 3.04D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.394D-05 0.851D-05-0.529D-04-0.209D-03 0.241D-03 0.278D-02
 Coeff-Com:  0.653D-02-0.280D-01-0.155D+00 0.315D+00 0.858D+00
 Coeff:     -0.394D-05 0.851D-05-0.529D-04-0.209D-03 0.241D-03 0.278D-02
 Coeff:      0.653D-02-0.280D-01-0.155D+00 0.315D+00 0.858D+00
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=4.33D-08 MaxDP=7.78D-06 DE=-1.57D-10 OVMax= 3.59D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.37D-08    CP:  1.43D+00  2.46D+00  8.94D-01  9.60D-01  1.18D+00
                    CP:  9.62D-01  1.29D+00  1.06D+00  1.11D+00  1.26D+00
                    CP:  1.16D+00
 E= -680.563181457182     Delta-E=        0.000000000047 Rises=F Damp=F
 DIIS: error= 1.22D-07 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -680.563181457228     IErMin=12 ErrMin= 1.22D-07
 ErrMax= 1.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.27D-12 BMatP= 1.14D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.731D-04 0.144D-03 0.356D-04-0.328D-03-0.911D-03 0.128D-02
 Coeff-Com:  0.717D-02 0.138D-01-0.304D-01-0.445D+00 0.343D+00 0.111D+01
 Coeff:     -0.731D-04 0.144D-03 0.356D-04-0.328D-03-0.911D-03 0.128D-02
 Coeff:      0.717D-02 0.138D-01-0.304D-01-0.445D+00 0.343D+00 0.111D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=3.85D-08 MaxDP=8.40D-06 DE= 4.68D-11 OVMax= 3.65D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.92D-08    CP:  1.43D+00  2.46D+00  8.94D-01  9.60D-01  1.18D+00
                    CP:  9.62D-01  1.29D+00  1.06D+00  1.11D+00  1.31D+00
                    CP:  1.45D+00  1.32D+00
 E= -680.563181457286     Delta-E=       -0.000000000104 Rises=F Damp=F
 DIIS: error= 3.27D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -680.563181457286     IErMin=13 ErrMin= 3.27D-08
 ErrMax= 3.27D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-13 BMatP= 4.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.502D-05-0.993D-05 0.870D-05 0.438D-04 0.120D-04-0.541D-03
 Coeff-Com: -0.156D-02 0.477D-02 0.281D-01-0.460D-01-0.147D+00-0.215D-01
 Coeff-Com:  0.118D+01
 Coeff:      0.502D-05-0.993D-05 0.870D-05 0.438D-04 0.120D-04-0.541D-03
 Coeff:     -0.156D-02 0.477D-02 0.281D-01-0.460D-01-0.147D+00-0.215D-01
 Coeff:      0.118D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.70D-08 MaxDP=5.79D-06 DE=-1.04D-10 OVMax= 1.19D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.90D-09    CP:  1.43D+00  2.46D+00  8.94D-01  9.60D-01  1.18D+00
                    CP:  9.62D-01  1.29D+00  1.06D+00  1.11D+00  1.31D+00
                    CP:  1.46D+00  1.47D+00  1.26D+00
 E= -680.563181457356     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 1.40D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -680.563181457356     IErMin=14 ErrMin= 1.40D-08
 ErrMax= 1.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-14 BMatP= 2.99D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.482D-05-0.946D-05-0.543D-05 0.182D-04 0.742D-04 0.111D-04
 Coeff-Com: -0.238D-03-0.202D-02-0.318D-02 0.447D-01 0.457D-02-0.850D-01
 Coeff-Com: -0.256D+00 0.130D+01
 Coeff:      0.482D-05-0.946D-05-0.543D-05 0.182D-04 0.742D-04 0.111D-04
 Coeff:     -0.238D-03-0.202D-02-0.318D-02 0.447D-01 0.457D-02-0.850D-01
 Coeff:     -0.256D+00 0.130D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=4.36D-09 MaxDP=1.29D-06 DE=-7.00D-11 OVMax= 2.73D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.85D-09    CP:  1.43D+00  2.46D+00  8.94D-01  9.60D-01  1.18D+00
                    CP:  9.62D-01  1.29D+00  1.06D+00  1.11D+00  1.30D+00
                    CP:  1.44D+00  1.47D+00  1.30D+00  1.30D+00
 E= -680.563181457231     Delta-E=        0.000000000125 Rises=F Damp=F
 DIIS: error= 8.13D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -680.563181457356     IErMin=15 ErrMin= 8.13D-09
 ErrMax= 8.13D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-15 BMatP= 2.98D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.125D-05 0.246D-05-0.523D-06-0.838D-05-0.107D-04 0.771D-04
 Coeff-Com:  0.253D-03-0.498D-03-0.388D-02 0.206D-02 0.217D-01 0.120D-01
 Coeff-Com: -0.145D+00-0.114D+00 0.123D+01
 Coeff:     -0.125D-05 0.246D-05-0.523D-06-0.838D-05-0.107D-04 0.771D-04
 Coeff:      0.253D-03-0.498D-03-0.388D-02 0.206D-02 0.217D-01 0.120D-01
 Coeff:     -0.145D+00-0.114D+00 0.123D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 RMSDP=1.30D-09 MaxDP=2.76D-07 DE= 1.25D-10 OVMax= 1.70D-07

 SCF Done:  E(RM11) =  -680.563181457     A.U. after   15 cycles
            NFock= 15  Conv=0.13D-08     -V/T= 2.1219
 KE= 6.066344771282D+02 PE=-3.903673644489D+03 EE= 1.418154067673D+03
 Leave Link  502 at Thu Jul  8 22:03:54 2021, MaxMem= 10737418240 cpu:           23884.2 elap:            1494.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.25472633D+03

 Leave Link  801 at Thu Jul  8 22:03:55 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 3.18D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.29D-01 5.68D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 3.71D-02 6.02D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 5.51D-03 2.41D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 8.77D-04 7.89D-03.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 8.63D-05 3.14D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 1.69D-05 1.13D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 2.23D-06 2.49D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 1.24D-07 9.46D-05.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 5.96D-09 1.79D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 1.74D-10 2.31D-06.
     10 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 4.23D-12 3.48D-07.
      4 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 9.54D-14 3.45D-08.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 3.74D-15 9.81D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.154551D+03
      2 -0.139358D-02  0.153034D+03
      3 -0.152753D-02  0.908915D-01  0.122587D+03
 Isotropic polarizability for W=    0.085645      143.39 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.845132D+02 -0.491635D+00  0.224281D-01
      2   0.907153D+02  0.523972D+00  0.107516D-01
      3  -0.620204D+01 -0.323369D-01 -0.331797D-01
      4  -0.506090D+00  0.931560D+02 -0.456768D+01
      5  -0.629093D-01  0.114506D+01 -0.920798D+01
      6  -0.879031D+01 -0.741673D-01 -0.501223D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.170396D+01 -0.556037D-01 -0.246082D-03
      2  -0.171540D-01  0.541500D+01 -0.149991D+01
      3  -0.205344D-01 -0.161686D+01 -0.707288D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.571274D+01 -0.849189D-01  0.177854D-01
      2   0.853374D-01  0.422263D+01 -0.300594D+01
      3  -0.144543D-01 -0.244076D+01 -0.993537D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.599242D+00  0.182417D-01  0.561150D-02
      2   0.182417D-01 -0.162880D+01  0.983568D-01
      3   0.561150D-02  0.983568D-01  0.107563D+01
 OR G Eigenvalues:    -1.6325     0.5993     1.0793  Iso=    -0.0154
 Eigenvectors:
   (1)  -0.008077   0.999309  -0.036277
   (2)   0.999882   0.007597  -0.013348
   (3)   0.013063   0.036380   0.999253
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0154 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =       -2.57 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 3.48D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.06D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.57D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 4.99D-01 3.44D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.84D-02 2.92D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 2.97D-04 2.86D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 9.15D-06 4.35D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 2.20D-07 6.52D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 2.96D-09 7.39D-06.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 3.38D-11 7.87D-07.
     30 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 3.63D-13 7.26D-08.
     10 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 5.47D-15 7.40D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   280 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.17D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.17D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.33D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154551D+03 -0.139358D-02 -0.152753D-02
      2  -0.139358D-02  0.153034D+03  0.908915D-01
      3  -0.152753D-02  0.908915D-01  0.122587D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.170396D+01 -0.556037D-01 -0.246082D-03
      2  -0.171540D-01  0.541500D+01 -0.149991D+01
      3  -0.205344D-01 -0.161686D+01 -0.707288D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.845132D+02 -0.491635D+00  0.224281D-01
      2   0.907153D+02  0.523972D+00  0.107516D-01
      3  -0.620204D+01 -0.323369D-01 -0.331797D-01
      4  -0.506090D+00  0.931560D+02 -0.456768D+01
      5  -0.629093D-01  0.114506D+01 -0.920798D+01
      6  -0.879031D+01 -0.741673D-01 -0.501223D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.346003D+01 -0.375804D+01  0.296940D+01 -0.555415D+01  0.132758D+01
      2  -0.375804D+01  0.923214D+00 -0.444562D+00  0.132758D+01  0.299317D+01
      3   0.296940D+01 -0.444562D+00  0.814370D+00 -0.125618D+01  0.298969D+01
                 6             7             8             9            10 
      1  -0.125618D+01  0.281489D+01 -0.800184D+00  0.103943D+01  0.340133D+01
      2   0.298969D+01 -0.800184D+00  0.228384D+01  0.762575D+00  0.375841D+01
      3   0.701299D+00  0.103943D+01  0.762575D+00 -0.770999D+00 -0.295765D+01
                11            12            13            14            15 
      1   0.375841D+01 -0.295765D+01  0.556098D+01  0.138919D+01 -0.124404D+01
      2   0.974359D+00 -0.431294D+00  0.138919D+01 -0.297550D+01 -0.299364D+01
      3  -0.431294D+00  0.804010D+00 -0.124404D+01 -0.299364D+01 -0.697632D+00
                16            17            18            19            20 
      1  -0.280090D+01 -0.787674D+00  0.103105D+01 -0.804753D+01 -0.466747D+01
      2  -0.787674D+00 -0.228651D+01 -0.758677D+00 -0.466747D+01 -0.154320D+01
      3   0.103105D+01 -0.758677D+00  0.774505D+00  0.497053D+01  0.138764D+01
                21            22            23            24            25 
      1   0.497053D+01 -0.225155D+01 -0.630559D+00  0.407615D+00  0.352879D+01
      2   0.138764D+01 -0.630559D+00  0.163729D+01  0.144064D+01  0.130007D+01
      3  -0.226542D+01  0.407615D+00  0.144064D+01 -0.840202D+00 -0.202472D+01
                26            27            28            29            30 
      1   0.130007D+01 -0.202472D+01  0.145685D+01  0.853372D-02  0.469675D-02
      2   0.195759D+01 -0.105760D+01  0.853372D-02 -0.165715D+01 -0.152860D+01
      3  -0.105760D+01 -0.155885D+01  0.469675D-02 -0.152860D+01  0.174191D+00
                31            32            33            34            35 
      1   0.101428D-01 -0.165259D+01  0.179504D+01  0.964516D-02 -0.755872D-01
      2  -0.165259D+01 -0.450339D-02  0.309273D-02 -0.755872D-01  0.155059D-01
      3   0.179504D+01  0.309273D-02  0.331231D-02  0.140471D+00  0.356568D-02
                36            37            38            39            40 
      1   0.140471D+00  0.491634D+01  0.372045D+01 -0.194391D+01  0.566802D+01
      2   0.356568D-02  0.372045D+01  0.133001D+01 -0.311636D+01  0.290918D+01
      3   0.278730D-02 -0.194391D+01 -0.311636D+01  0.205075D+01 -0.365487D+01
                41            42            43            44            45 
      1   0.290918D+01 -0.365487D+01 -0.182834D+01 -0.223216D+01  0.253492D+01
      2   0.258779D+01 -0.253281D+01 -0.223216D+01 -0.168961D+01 -0.361704D-01
      3  -0.253281D+01  0.593145D+00  0.253492D+01 -0.361704D-01  0.465698D+00
                46            47            48            49            50 
      1  -0.265156D+01 -0.948252D+00 -0.502022D+00 -0.163641D+01 -0.162559D+01
      2  -0.948252D+00 -0.968514D+00  0.316730D+01 -0.162559D+01 -0.100767D+01
      3  -0.502022D+00  0.316730D+01 -0.188059D+01  0.306937D+01  0.241948D+01
                51            52            53            54            55 
      1   0.306937D+01 -0.158074D+00  0.436502D+01 -0.287554D+01  0.617661D+00
      2   0.241948D+01  0.436502D+01  0.303134D+01 -0.782511D+00 -0.606669D+00
      3  -0.209686D+00 -0.287554D+01 -0.782511D+00  0.279238D+00  0.118803D+01
                56            57            58            59            60 
      1  -0.606669D+00  0.118803D+01 -0.377839D+00 -0.297604D+00 -0.282268D+01
      2  -0.130871D+01 -0.273324D+01 -0.297604D+00 -0.434072D+01 -0.298601D+01
      3  -0.273324D+01  0.900732D+00 -0.282268D+01 -0.298601D+01 -0.150541D+01
                61            62            63            64            65 
      1   0.165688D+01 -0.352149D+01  0.897884D+00  0.122684D+01 -0.326155D-01
      2  -0.352149D+01 -0.459678D+01 -0.267005D+01 -0.326155D-01  0.292283D+01
      3   0.897884D+00 -0.267005D+01 -0.934005D-01 -0.706899D+00  0.212321D+01
                66            67            68            69            70 
      1  -0.706899D+00 -0.380344D+00  0.508788D+00  0.166853D+01 -0.355669D+00
      2   0.212321D+01  0.508788D+00  0.103064D+02  0.484225D+01  0.110619D+01
      3  -0.601274D+00  0.166853D+01  0.484225D+01  0.177672D+01 -0.131101D+01
                71            72            73            74            75 
      1   0.110619D+01 -0.131101D+01 -0.807894D+01  0.464786D+01 -0.497339D+01
      2   0.360203D+01  0.197864D+01  0.464786D+01 -0.150432D+01  0.138210D+01
      3   0.197864D+01 -0.537968D+00 -0.497339D+01  0.138210D+01 -0.227902D+01
                76            77            78            79            80 
      1   0.222504D+01 -0.597065D+00  0.397379D+00 -0.354015D+01  0.130286D+01
      2  -0.597065D+00 -0.164597D+01 -0.144161D+01  0.130286D+01 -0.195970D+01
      3   0.397379D+00 -0.144161D+01  0.822373D+00 -0.203839D+01  0.104310D+01
                81            82            83            84            85 
      1  -0.203839D+01  0.495306D+01 -0.371200D+01  0.195690D+01 -0.566545D+01
      2   0.104310D+01 -0.371200D+01  0.132459D+01 -0.312925D+01  0.289225D+01
      3   0.155760D+01  0.195690D+01 -0.312925D+01  0.204664D+01 -0.366891D+01
                86            87            88            89            90 
      1   0.289225D+01 -0.366891D+01  0.182866D+01 -0.223947D+01  0.252743D+01
      2  -0.257750D+01  0.250534D+01 -0.223947D+01  0.166875D+01  0.433088D-01
      3   0.250534D+01 -0.586371D+00  0.252743D+01  0.433088D-01 -0.454150D+00
                91            92            93            94            95 
      1  -0.267010D+01  0.941237D+00  0.478002D+00  0.163286D+01 -0.162969D+01
      2   0.941237D+00 -0.979985D+00  0.318678D+01 -0.162969D+01  0.100416D+01
      3   0.478002D+00  0.318678D+01 -0.186957D+01  0.308505D+01 -0.239272D+01
                96            97            98            99           100 
      1   0.308505D+01  0.127577D+00  0.438227D+01 -0.286407D+01  0.613316D+00
      2  -0.239272D+01  0.438227D+01 -0.299330D+01  0.763558D+00  0.622690D+00
      3   0.196582D+00 -0.286407D+01  0.763558D+00 -0.282762D+00 -0.116243D+01
               101           102           103           104           105 
      1   0.622690D+00 -0.116243D+01  0.384489D+00 -0.291219D+00 -0.284084D+01
      2  -0.131402D+01 -0.275577D+01 -0.291219D+00  0.430612D+01  0.294804D+01
      3  -0.275577D+01  0.881321D+00 -0.284084D+01  0.294804D+01  0.151616D+01
               106           107           108           109           110 
      1  -0.162308D+01 -0.354980D+01  0.873176D+00  0.122861D+01  0.245393D-01
      2  -0.354980D+01  0.456272D+01  0.268856D+01  0.245393D-01  0.295537D+01
      3   0.873176D+00  0.268856D+01  0.103202D+00  0.687263D+00  0.214485D+01
               111           112           113           114           115 
      1   0.687263D+00  0.380918D+00  0.544768D+00  0.168794D+01  0.345253D+00
      2   0.214485D+01  0.544768D+00 -0.102752D+02 -0.482361D+01  0.112164D+01
      3  -0.590337D+00  0.168794D+01 -0.482361D+01 -0.178579D+01 -0.129749D+01
               116           117           118           119           120 
      1   0.112164D+01 -0.129749D+01  0.504736D+01  0.160316D+00  0.156798D+01
      2  -0.361024D+01 -0.200057D+01  0.160316D+00  0.135259D+01 -0.283063D+00
      3  -0.200057D+01  0.536231D+00  0.156798D+01 -0.283063D+00  0.142777D+01
               121           122           123           124           125 
      1  -0.784086D+00  0.866941D+00 -0.537075D+00  0.265320D+01 -0.478674D+00
      2   0.866941D+00 -0.849328D+00  0.408141D+00 -0.478674D+00  0.917723D+00
      3  -0.537075D+00  0.408141D+00 -0.427324D+00  0.201407D+01 -0.339027D-01
               126           127           128           129           130 
      1   0.201407D+01  0.431866D+01  0.275225D+01 -0.150280D+01  0.274235D+01
      2  -0.339027D-01  0.275225D+01  0.248620D+01 -0.135080D+01  0.300637D+01
      3   0.216940D+01 -0.150280D+01 -0.135080D+01  0.141225D+01 -0.141152D+01
               131           132           133           134           135 
      1   0.300637D+01 -0.141152D+01 -0.246376D+01 -0.253274D+01  0.243847D+01
      2   0.530922D+01 -0.195888D+01 -0.253274D+01 -0.286424D+01  0.234726D+01
      3  -0.195888D+01  0.156555D+01  0.243847D+01  0.234726D+01 -0.277828D+01
               136           137           138           139           140 
      1  -0.255511D+01  0.112766D+01 -0.112706D+01  0.982360D+00 -0.106201D+01
      2   0.112766D+01 -0.214335D+01  0.879818D+00 -0.106201D+01  0.350869D+01
      3  -0.112706D+01  0.879818D+00 -0.115817D+01  0.561596D+00 -0.926771D+00
               141           142           143           144           145 
      1   0.561596D+00 -0.176047D+01  0.101074D+01 -0.107085D+01  0.145667D+01
      2  -0.926771D+00  0.101074D+01 -0.178256D+01  0.177111D+01  0.192348D+01
      3   0.995821D+00 -0.107085D+01  0.177111D+01 -0.229038D+01  0.530619D+00
               146           147           148           149           150 
      1   0.192348D+01  0.530619D+00  0.152532D+01  0.187388D+01  0.834490D+00
      2   0.218198D+01  0.888262D+00  0.187388D+01  0.867866D+01  0.272570D+01
      3   0.888262D+00  0.588366D+00  0.834490D+00  0.272570D+01  0.192005D+01
               151           152           153           154           155 
      1   0.497795D+00  0.141162D+01  0.748416D+00 -0.254040D+01 -0.112912D+01
      2   0.141162D+01  0.479373D+01  0.316007D+01 -0.112912D+01 -0.214596D+01
      3   0.748416D+00  0.316007D+01  0.253301D+01  0.111737D+01  0.880192D+00
               156           157           158           159           160 
      1   0.111737D+01 -0.987762D+00 -0.106413D+01  0.562564D+00  0.174746D+01
      2   0.880192D+00 -0.106413D+01 -0.354209D+01  0.938616D+00  0.101221D+01
      3  -0.114970D+01  0.562564D+00  0.938616D+00 -0.100288D+01 -0.106030D+01
               161           162           163           164           165 
      1   0.101221D+01 -0.106030D+01  0.148064D+01 -0.193530D+01 -0.541294D+00
      2   0.179731D+01 -0.177686D+01 -0.193530D+01  0.220381D+01  0.901816D+00
      3  -0.177686D+01  0.228338D+01 -0.541294D+00  0.901816D+00  0.601681D+00
               166           167           168           169           170 
      1  -0.153341D+01  0.188854D+01  0.845521D+00 -0.513492D+00  0.143185D+01
      2   0.188854D+01 -0.862287D+01 -0.271978D+01  0.143185D+01 -0.478821D+01
      3   0.845521D+00 -0.271978D+01 -0.192072D+01  0.766546D+00 -0.316406D+01
               171           172           173           174           175 
      1   0.766546D+00  0.504760D+01 -0.142975D+00 -0.156230D+01  0.800581D+00
      2  -0.316406D+01 -0.142975D+00  0.135248D+01 -0.290959D+00  0.871409D+00
      3  -0.254828D+01 -0.156230D+01 -0.290959D+00  0.142273D+01 -0.544020D+00
               176           177           178           179           180 
      1   0.871409D+00 -0.544020D+00 -0.264211D+01 -0.491649D+00  0.200937D+01
      2   0.870169D+00 -0.412521D+00 -0.491649D+00 -0.922040D+00  0.460956D-01
      3  -0.412521D+00  0.434606D+00  0.200937D+01  0.460956D-01 -0.216389D+01
               181           182           183           184           185 
      1   0.435385D+01 -0.275970D+01  0.151218D+01 -0.274995D+01  0.300922D+01
      2  -0.275970D+01  0.249119D+01 -0.135318D+01  0.300922D+01 -0.528423D+01
      3   0.151218D+01 -0.135318D+01  0.141600D+01 -0.141202D+01  0.194588D+01
               186           187           188           189           190 
      1  -0.141202D+01  0.247656D+01 -0.253156D+01  0.244180D+01  0.425366D+01
      2   0.194588D+01 -0.253156D+01  0.284184D+01 -0.233545D+01  0.104904D+01
      3  -0.155837D+01  0.244180D+01 -0.233545D+01  0.277212D+01  0.170735D+01
               191           192           193           194           195 
      1   0.104904D+01  0.170735D+01  0.263488D+01  0.100205D+00  0.185096D+01
      2   0.167579D+01  0.843295D+00  0.100205D+00  0.211011D+01 -0.690575D-01
      3   0.843295D+00  0.145664D+01  0.185096D+01 -0.690575D-01  0.136049D+01
               196           197           198           199           200 
      1   0.927335D+00  0.109642D+01  0.878683D+00 -0.159570D+01  0.127838D+01
      2   0.109642D+01  0.701930D-01  0.645717D+00  0.127838D+01 -0.976017D+00
      3   0.878683D+00  0.645717D+00  0.167281D+01 -0.140042D+00  0.102679D+01
               201           202           203           204           205 
      1  -0.140042D+00  0.235670D-01 -0.632757D-01  0.404326D+00  0.111077D+01
      2   0.102679D+01 -0.632757D-01 -0.119387D+01  0.856278D+00 -0.138759D+00
      3  -0.162023D+01  0.404326D+00  0.856278D+00 -0.131426D+01  0.337623D-01
               206           207           208           209           210 
      1  -0.138759D+00  0.337623D-01 -0.356160D+01 -0.105004D+01 -0.157453D+01
      2   0.127416D+01 -0.127460D+01 -0.105004D+01 -0.356262D+01 -0.191486D+01
      3  -0.127460D+01  0.563323D+01 -0.157453D+01 -0.191486D+01 -0.183372D+01
               211           212           213           214           215 
      1  -0.164352D+01 -0.132464D+01 -0.958986D+00 -0.128331D+01 -0.899842D+00
      2  -0.132464D+01 -0.112594D+01 -0.127378D+00 -0.899842D+00  0.210028D+00
      3  -0.958986D+00 -0.127378D+00 -0.683033D+00 -0.960123D+00 -0.530260D+00
               216           217           218           219           220 
      1  -0.960123D+00  0.880142D+00 -0.660653D+00 -0.125569D+01 -0.474877D+00
      2  -0.530260D+00 -0.660653D+00  0.152359D+01  0.408166D+00 -0.912962D-01
      3  -0.174793D+01 -0.125569D+01  0.408166D+00  0.195969D+01 -0.234582D+00
               221           222           223           224           225 
      1  -0.912962D-01 -0.234582D+00 -0.113172D+01  0.162705D+00  0.111966D+01
      2   0.207815D+01  0.430540D+00  0.162705D+00 -0.132224D+01 -0.724169D+00
      3   0.430540D+00  0.631144D+00  0.111966D+01 -0.724169D+00 -0.550105D+01
               226           227           228           229           230 
      1   0.588806D+00  0.361784D+00  0.910932D+00  0.236038D+01 -0.109898D+01
      2   0.361784D+00 -0.998941D+00 -0.160680D+00 -0.109898D+01  0.576000D+01
      3   0.910932D+00 -0.160680D+00  0.223189D+00  0.787780D+00 -0.870573D+00
               231           232           233           234           235 
      1   0.787780D+00  0.185602D+01 -0.419587D+00  0.606852D+00  0.101853D+01
      2  -0.870573D+00 -0.419587D+00  0.779628D-01  0.445206D+00 -0.819194D+00
      3   0.120593D+01  0.606852D+00  0.445206D+00 -0.226414D+00  0.156449D+00
               236           237           238           239           240 
      1  -0.819194D+00  0.156449D+00 -0.132706D+01  0.121778D+00 -0.464284D+00
      2  -0.770944D-01 -0.400662D+00  0.121778D+00  0.694847D+00 -0.536911D+00
      3  -0.400662D+00  0.734438D+00 -0.464284D+00 -0.536911D+00 -0.377786D+00
               241           242           243           244           245 
      1  -0.176103D+01  0.193357D+00 -0.836374D+00 -0.357428D+01  0.105578D+01
      2   0.193357D+00 -0.999943D+00  0.106535D+01  0.105578D+01 -0.356247D+01
      3  -0.836374D+00  0.106535D+01 -0.702293D+01  0.158673D+01 -0.191138D+01
               246           247           248           249           250 
      1   0.158673D+01  0.164102D+01 -0.131825D+01 -0.954233D+00  0.129054D+01
      2  -0.191138D+01 -0.131825D+01  0.110163D+01  0.117558D+00 -0.894993D+00
      3  -0.183843D+01 -0.954233D+00  0.117558D+00  0.678476D+00 -0.963448D+00
               251           252           253           254           255 
      1  -0.894993D+00 -0.963448D+00  0.876261D+00  0.659801D+00  0.125905D+01
      2  -0.211895D+00  0.531272D+00  0.659801D+00  0.153873D+01  0.417265D+00
      3   0.531272D+00  0.175277D+01  0.125905D+01  0.417265D+00  0.196697D+01
               256           257           258           259           260 
      1   0.479328D+00 -0.795506D-01 -0.228300D+00  0.113184D+01  0.164333D+00
      2  -0.795506D-01 -0.207331D+01 -0.429851D+00  0.164333D+00  0.132725D+01
      3  -0.228300D+00 -0.429851D+00 -0.618765D+00  0.112120D+01  0.735321D+00
               261           262           263           264           265 
      1   0.112120D+01  0.427920D+01 -0.104623D+01 -0.171024D+01 -0.262534D+01
      2   0.735321D+00 -0.104623D+01  0.168239D+01  0.834970D+00  0.975892D-01
      3   0.550115D+01 -0.171024D+01  0.834970D+00  0.145472D+01  0.184170D+01
               266           267           268           269           270 
      1   0.975892D-01  0.184170D+01 -0.922863D+00  0.109428D+01  0.871332D+00
      2  -0.210845D+01  0.838844D-01  0.109428D+01 -0.550486D-01 -0.640933D+00
      3   0.838844D-01 -0.134962D+01  0.871332D+00 -0.640933D+00 -0.165792D+01
               271           272           273           274           275 
      1  -0.158297D+01 -0.128173D+01  0.136812D+00 -0.320163D-01 -0.682928D-01
      2  -0.128173D+01 -0.981782D+00  0.102460D+01 -0.682928D-01  0.118376D+01
      3   0.136812D+00  0.102460D+01 -0.161786D+01  0.404310D+00 -0.847187D+00
               276           277           278           279           280 
      1   0.404310D+00 -0.111385D+01 -0.143956D+00  0.383523D-01 -0.106799D+01
      2  -0.847187D+00 -0.143956D+00 -0.127579D+01  0.126891D+01 -0.812388D+00
      3   0.129951D+01  0.383523D-01  0.126891D+01 -0.564692D+01 -0.102631D+01
               281           282           283           284           285 
      1  -0.812388D+00 -0.102631D+01 -0.157179D+01 -0.128082D+01 -0.536870D+00
      2  -0.428473D+00 -0.202855D+00 -0.128082D+01 -0.429398D+01 -0.210375D+01
      3  -0.202855D+00 -0.437401D+00 -0.536870D+00 -0.210375D+01 -0.225426D+01
               286           287           288           289           290 
      1  -0.159792D+01 -0.396771D+00 -0.906137D+00 -0.905500D+01  0.231324D+01
      2  -0.396771D+00 -0.155513D+01 -0.154769D+01  0.231324D+01 -0.163060D+01
      3  -0.906137D+00 -0.154769D+01 -0.220653D+01 -0.247268D+01  0.643893D+00
               291           292           293           294           295 
      1  -0.247268D+01  0.429671D+01 -0.247701D+01  0.139794D+01 -0.276068D+01
      2   0.643893D+00 -0.247701D+01  0.140793D+01 -0.126746D+01  0.802168D+00
      3  -0.185444D+01  0.139794D+01 -0.126746D+01  0.899522D+00 -0.239346D+01
               296           297           298           299           300 
      1   0.802168D+00 -0.239346D+01 -0.902105D+01 -0.233438D+01  0.245468D+01
      2  -0.786624D+00  0.638613D+00 -0.233438D+01 -0.164514D+01  0.644739D+00
      3   0.638613D+00 -0.148992D+01  0.245468D+01  0.644739D+00 -0.184338D+01
               301           302           303           304           305 
      1  -0.432031D+01 -0.250195D+01  0.139760D+01  0.273946D+01  0.804562D+00
      2  -0.250195D+01 -0.143792D+01  0.127225D+01  0.804562D+00  0.790134D+00
      3   0.139760D+01  0.127225D+01 -0.904952D+00 -0.238150D+01 -0.645728D+00
               306           307           308           309           310 
      1  -0.238150D+01 -0.108068D+01  0.819201D+00  0.102896D+01  0.158413D+01
      2  -0.645728D+00  0.819201D+00 -0.445938D+00 -0.212846D+00 -0.129711D+01
      3   0.147791D+01  0.102896D+01 -0.212846D+00 -0.449715D+00 -0.545883D+00
               311           312           313           314           315 
      1  -0.129711D+01 -0.545883D+00  0.160164D+01 -0.402415D+00 -0.913389D+00
      2   0.428223D+01  0.209883D+01 -0.402415D+00  0.155113D+01  0.154337D+01
      3   0.209883D+01  0.225190D+01 -0.913389D+00  0.154337D+01  0.220283D+01
               316           317           318           319           320 
      1   0.100592D+01  0.823995D+00 -0.153389D+00  0.133795D+01  0.132407D+00
      2   0.823995D+00 -0.700471D-01 -0.400252D+00  0.132407D+00 -0.689211D+00
      3  -0.153389D+00 -0.400252D+00  0.726722D+00 -0.468787D+00  0.531929D+00
               321           322           323           324           325 
      1  -0.468787D+00  0.176056D+01  0.197465D+00 -0.839747D+00  0.601561D+00
      2   0.531929D+00  0.197465D+00  0.998670D+00 -0.105804D+01 -0.351897D+00
      3   0.392944D+00 -0.839747D+00 -0.105804D+01  0.702696D+01 -0.911291D+00
               326           327           328           329           330 
      1  -0.351897D+00 -0.911291D+00 -0.235515D+01 -0.108848D+01  0.784378D+00
      2  -0.974782D+00 -0.165073D+00 -0.108848D+01 -0.577213D+01  0.882395D+00
      3  -0.165073D+00  0.226076D+00  0.784378D+00  0.882395D+00 -0.120848D+01
               331           332           333 
      1  -0.184746D+01 -0.422458D+00  0.603670D+00
      2  -0.422458D+00 -0.720229D-01 -0.444301D+00
      3   0.603670D+00 -0.444301D+00  0.233760D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.237564D+01 -0.472758D+00  0.145985D+00  0.669435D+00 -0.226385D+01
      2  -0.566317D+01 -0.672507D+01  0.684438D+01 -0.839588D+01 -0.790317D+01
      3  -0.108660D+02 -0.139139D+01  0.272086D+01  0.554852D+00  0.112414D+02
                 6             7             8             9            10 
      1  -0.409138D+01  0.598818D+00 -0.289289D+00 -0.935621D+00  0.236478D+01
      2  -0.665875D+01  0.310306D+01 -0.191887D+01  0.222323D+01  0.573214D+01
      3   0.842480D+01  0.414627D+01  0.884251D+01  0.441298D+01  0.108785D+02
                11            12            13            14            15 
      1   0.530632D+00 -0.156177D+00 -0.597556D+00 -0.226940D+01 -0.410916D+01
      2  -0.675942D+01  0.683442D+01 -0.844447D+01  0.782516D+01  0.665137D+01
      3  -0.124623D+01  0.278782D+01  0.725384D+00 -0.112166D+02 -0.842071D+01
                16            17            18            19            20 
      1  -0.605202D+00 -0.291950D+00 -0.918229D+00 -0.209155D+01  0.757472D+01
      2   0.310009D+01  0.191142D+01 -0.221645D+01 -0.236649D+02 -0.359062D+01
      3   0.422318D+01 -0.883439D+01 -0.440512D+01 -0.179437D+02  0.212923D+01
                21            22            23            24            25 
      1   0.371918D+01  0.208084D+02  0.171688D+02 -0.111545D+02  0.144132D+02
      2  -0.374322D+00 -0.191928D+01 -0.318052D+01 -0.112966D+01 -0.266858D+02
      3   0.462425D+01  0.281895D+02  0.188287D+02 -0.112903D+02  0.489698D+01
                26            27            28            29            30 
      1   0.759961D+01 -0.161094D+02 -0.226907D+01  0.127857D-01  0.259593D-01
      2  -0.101060D+02  0.243002D+02  0.103215D-01  0.114304D+01 -0.831107D+01
      3  -0.248098D+01 -0.141003D+01 -0.207621D-01  0.138770D+02  0.127924D+01
                31            32            33            34            35 
      1  -0.316280D-01 -0.453086D-01  0.989137D+01  0.688193D-02 -0.179583D+02
      2  -0.241755D+00 -0.220063D-01 -0.196121D-01  0.198561D+02  0.199736D-01
      3  -0.163770D+02  0.425950D-01  0.439818D-01  0.444581D+00  0.953252D-02
                36            37            38            39            40 
      1   0.512669D+00 -0.499417D+01  0.985308D+01  0.635732D+01  0.166968D+02
      2  -0.104714D-01 -0.243238D+02 -0.996656D+01  0.840248D+01  0.326638D+00
      3  -0.748173D-02 -0.230922D+02 -0.157025D+01  0.116521D+02  0.231844D+02
                41            42            43            44            45 
      1   0.146802D+02 -0.659264D+01  0.133802D+02  0.915843D+01 -0.816449D+01
      2  -0.921967D-01 -0.102787D+02 -0.218633D+02 -0.202572D+02  0.212178D+02
      3   0.203476D+02 -0.114403D+02  0.404688D+01 -0.678132D+01  0.417544D+01
                46            47            48            49            50 
      1   0.633488D+01 -0.533628D+01  0.285201D+01 -0.481035D+01 -0.897177D+01
      2  -0.465041D+01  0.586393D+01 -0.198426D+01  0.460563D+01  0.622534D+01
      3  -0.410508D+01  0.563792D-01 -0.992565D+01  0.524568D+01 -0.275096D+01
                51            52            53            54            55 
      1  -0.613023D+01  0.666037D+00 -0.349736D+01  0.204846D+01 -0.123579D+01
      2   0.285541D+01 -0.367383D+01  0.423194D+01 -0.164372D+01 -0.751709D+00
      3  -0.271925D+01 -0.142131D+02 -0.139180D+01 -0.498029D+01  0.578600D+01
                56            57            58            59            60 
      1   0.994978D+01 -0.650913D+01  0.111004D+02  0.350200D+01 -0.552088D+00
      2  -0.446177D+01  0.419474D+01 -0.382467D+01 -0.375753D+00  0.691503D+00
      3  -0.400490D+01  0.323875D+01  0.867306D+00  0.489168D+00 -0.964779D+01
                61            62            63            64            65 
      1  -0.649622D+01 -0.404001D+00 -0.237791D+01  0.452237D-01  0.183285D+01
      2   0.227213D+00  0.149810D+01  0.932670D+00 -0.237123D+01  0.222184D+02
      3   0.606504D+01 -0.127921D+02  0.533920D+01 -0.334857D+00 -0.376024D+02
                66            67            68            69            70 
      1   0.671514D+01 -0.208001D+01 -0.239621D+02  0.145180D+01  0.780979D+01
      2   0.135907D+02  0.107205D+02 -0.105332D+01 -0.262613D+01  0.167037D+01
      3  -0.157925D+02 -0.111546D+02  0.372779D+01  0.455345D+01 -0.761306D+01
                71            72            73            74            75 
      1   0.339266D+02  0.217325D+02 -0.206773D+01 -0.761176D+01 -0.365612D+01
      2   0.962802D-01  0.320942D+01  0.237248D+02 -0.354514D+01 -0.311664D+00
      3   0.642655D+00 -0.416072D+01  0.178669D+02  0.220387D+01  0.459270D+01
                76            77            78            79            80 
      1  -0.208365D+02  0.170585D+02 -0.111412D+02 -0.143527D+02  0.756313D+01
      2  -0.193260D+01  0.322533D+01  0.112492D+01 -0.266804D+02  0.100833D+02
      3   0.282184D+02 -0.187095D+02  0.112682D+02  0.490117D+01  0.247775D+01
                81            82            83            84            85 
      1  -0.160209D+02 -0.498698D+01 -0.988763D+01 -0.640821D+01 -0.167602D+02
      2  -0.243540D+02  0.242554D+02 -0.996666D+01  0.835096D+01  0.370910D+00
      3   0.137022D+01  0.229611D+02 -0.147791D+01  0.116544D+02  0.233067D+02
                86            87            88            89            90 
      1   0.146102D+02 -0.663629D+01 -0.133519D+02  0.902910D+01 -0.810690D+01
      2   0.723581D-01  0.103365D+02 -0.219265D+02  0.202169D+02 -0.211951D+02
      3  -0.202945D+02  0.115002D+02  0.403268D+01  0.683469D+01 -0.417056D+01
                91            92            93            94            95 
      1   0.627683D+01  0.538763D+01 -0.278374D+01  0.484945D+01 -0.886705D+01
      2   0.464358D+01  0.593290D+01 -0.194617D+01  0.464311D+01 -0.617746D+01
      3   0.412189D+01  0.112932D+00 -0.994473D+01  0.527914D+01  0.276270D+01
                96            97            98            99           100 
      1  -0.615473D+01 -0.601283D+00 -0.352633D+01  0.203091D+01 -0.115065D+01
      2  -0.291060D+01 -0.362366D+01 -0.430308D+01  0.165029D+01  0.783761D+00
      3   0.265220D+01 -0.142037D+02  0.128776D+01  0.498359D+01 -0.577320D+01
               101           102           103           104           105 
      1  -0.999315D+01  0.644945D+01 -0.111296D+02  0.344574D+01 -0.484557D+00
      2  -0.450648D+01  0.420737D+01 -0.386891D+01  0.353227D+00 -0.680057D+00
      3  -0.406819D+01  0.320207D+01  0.827383D+00 -0.565648D+00  0.967913D+01
               106           107           108           109           110 
      1   0.644044D+01 -0.315231D+00 -0.234662D+01  0.282655D-01 -0.184967D+01
      2   0.236851D+00 -0.149112D+01 -0.932766D+00  0.225826D+01  0.222021D+02
      3   0.599498D+01  0.128429D+02 -0.529372D+01  0.500542D+00 -0.375645D+02
               111           112           113           114           115 
      1  -0.678186D+01  0.212685D+01 -0.239379D+02  0.138633D+01 -0.792409D+01
      2   0.135455D+02  0.107274D+02  0.112209D+01  0.269180D+01  0.163102D+01
      3  -0.157648D+02 -0.111216D+02 -0.393526D+01 -0.462112D+01 -0.758536D+01
               116           117           118           119           120 
      1   0.339180D+02  0.217668D+02 -0.437874D+01  0.122755D+01 -0.319585D+01
      2   0.141257D-01 -0.314782D+01  0.534452D+01 -0.112936D+01  0.540852D+01
      3  -0.669339D+00  0.415321D+01  0.120137D+02 -0.485116D+01  0.512892D+01
               121           122           123           124           125 
      1   0.164219D+01 -0.102612D+01  0.687381D+00 -0.460016D+01  0.223261D+01
      2  -0.183978D+01  0.148381D+01 -0.228215D+01  0.467760D+01 -0.675739D+00
      3  -0.392745D+01  0.682883D+01 -0.300967D+01  0.827449D+01 -0.510995D+01
               126           127           128           129           130 
      1  -0.615655D+01  0.183832D+01  0.110367D+01 -0.366705D+01  0.242241D+01
      2   0.720065D+01 -0.760942D+00 -0.119627D+01  0.358056D+01 -0.211352D+01
      3   0.526056D+01  0.470974D+01 -0.320963D+00 -0.964974D+00  0.122934D+01
               131           132           133           134           135 
      1   0.150444D+01 -0.427574D+01 -0.226941D+01 -0.279039D+00  0.563249D+01
      2  -0.261380D+01  0.360460D+01  0.126620D+01  0.227137D+01 -0.516571D+01
      3  -0.512039D+01  0.661420D+00  0.809860D+00  0.357996D+01  0.239214D+00
               136           137           138           139           140 
      1   0.487720D+01 -0.348252D+01  0.520977D+01 -0.245454D+01  0.342719D+01
      2  -0.101204D+01  0.764566D+00  0.364190D+00  0.618859D+00 -0.507281D+00
      3  -0.123849D+02  0.393147D+01 -0.544166D+01  0.449847D+01 -0.638463D+01
               141           142           143           144           145 
      1  -0.402546D+01  0.450062D+01 -0.469501D+01  0.938989D+01 -0.464985D+00
      2   0.259790D+00 -0.222666D+01  0.598466D+00 -0.165266D+01 -0.268368D+00
      3   0.276158D+01 -0.833473D+01  0.462502D+01 -0.521136D+01  0.297732D+01
               146           147           148           149           150 
      1  -0.256649D+01 -0.201382D+01 -0.106170D+01 -0.434859D+01 -0.689810D+01
      2   0.390129D+00  0.103906D+01 -0.439268D+00  0.151005D+01  0.204925D+01
      3   0.278535D+01  0.672405D+00  0.486692D+01 -0.237803D+01 -0.404603D+00
               151           152           153           154           155 
      1  -0.693139D+00 -0.273122D+01 -0.697887D+01  0.484212D+01  0.349383D+01
      2  -0.132742D+01  0.706191D+00  0.213600D+01  0.101433D+01  0.773730D+00
      3   0.250706D+01  0.248364D+01 -0.296541D+00  0.123533D+02  0.397724D+01
               156           157           158           159           160 
      1  -0.518574D+01  0.245660D+01  0.347728D+01 -0.406193D+01 -0.446344D+01
      2   0.352126D+00  0.628107D+00  0.525055D+00 -0.273211D+00 -0.222566D+01
      3  -0.541585D+01  0.453631D+01  0.645862D+01 -0.278002D+01 -0.830391D+01
               161           162           163           164           165 
      1  -0.473239D+01  0.937296D+01 -0.484698D+00  0.257645D+01  0.205060D+01
      2  -0.627882D+00  0.167849D+01  0.271801D+00  0.406107D+00  0.106013D+01
      3  -0.466918D+01  0.520066D+01 -0.301868D+01  0.276653D+01  0.675462D+00
               166           167           168           169           170 
      1   0.109060D+01 -0.434040D+01 -0.687621D+01  0.727091D+00 -0.273951D+01
      2  -0.426915D+00 -0.152861D+01 -0.207030D+01 -0.132229D+01 -0.721982D+00
      3   0.483769D+01  0.240162D+01  0.397629D+00  0.252733D+01 -0.247922D+01
               171           172           173           174           175 
      1  -0.701391D+01 -0.434180D+01 -0.124324D+01  0.316272D+01 -0.165121D+01
      2  -0.217658D+01 -0.534809D+01 -0.116145D+01  0.539879D+01 -0.186687D+01
      3   0.280613D+00 -0.120045D+02 -0.490807D+01  0.512514D+01 -0.397603D+01
               176           177           178           179           180 
      1  -0.104687D+01  0.699913D+00  0.456167D+01  0.226291D+01 -0.611558D+01
      2  -0.150874D+01  0.231446D+01  0.468306D+01  0.715301D+00 -0.720803D+01
      3  -0.690840D+01  0.304039D+01  0.825601D+01  0.515942D+01 -0.526420D+01
               181           182           183           184           185 
      1   0.184546D+01 -0.109876D+01  0.366630D+01 -0.240652D+01  0.147020D+01
      2   0.774089D+00 -0.120435D+01  0.360345D+01 -0.212191D+01  0.259571D+01
      3  -0.472564D+01 -0.358065D+00 -0.961346D+00  0.118658D+01  0.512695D+01
               186           187           188           189           190 
      1  -0.424792D+01  0.225659D+01 -0.259460D+00  0.560240D+01  0.456526D+01
      2  -0.360499D+01  0.126868D+01 -0.225257D+01  0.517200D+01 -0.277845D+01
      3  -0.661665D+00  0.816070D+00 -0.356052D+01 -0.240938D+00 -0.717509D+01
               191           192           193           194           195 
      1   0.359781D+01  0.332820D+01  0.501505D+01  0.484295D+01  0.238302D+01
      2  -0.116654D+01  0.780993D+00 -0.523668D+01  0.819484D+00 -0.651901D+00
      3  -0.562287D+01 -0.364184D+01 -0.776819D+01 -0.554264D+01 -0.438812D+01
               196           197           198           199           200 
      1   0.172465D+01  0.250820D+01  0.236982D+01  0.104638D+01 -0.151313D+01
      2   0.524784D+00  0.100866D+01  0.633692D+00 -0.259726D+01  0.383385D+01
      3  -0.128378D+01 -0.893043D+00 -0.289121D+01 -0.278493D+01  0.278232D+01
               201           202           203           204           205 
      1  -0.893206D+00  0.187958D+00 -0.132033D+00 -0.991387D+00 -0.113911D+00
      2  -0.674030D+01  0.200799D+01  0.137878D+01 -0.264890D+01 -0.153628D+01
      3  -0.329698D+01  0.202631D+01  0.868025D+00 -0.145344D+01 -0.331432D-01
               206           207           208           209           210 
      1   0.143370D+01  0.415582D+01 -0.246398D+01  0.283937D+01 -0.203401D+01
      2  -0.277926D+01  0.115107D+02 -0.810144D+01 -0.481574D+01 -0.356885D+01
      3  -0.231830D+01  0.241689D+01  0.118407D+02  0.513180D+01  0.623064D+01
               211           212           213           214           215 
      1   0.153632D+00 -0.115367D+01 -0.174550D+01 -0.258950D+01 -0.584383D-01
      2  -0.175126D+01 -0.357367D+00 -0.945459D+00 -0.242834D+01 -0.206427D+00
      3   0.308944D+01  0.969399D+00  0.982496D+00  0.196240D+01  0.745815D+00
               216           217           218           219           220 
      1  -0.180169D+01 -0.239708D+01  0.530105D+00  0.554851D+01 -0.466401D+00
      2  -0.179554D+01  0.180493D+01 -0.145404D+01 -0.157198D+01  0.836238D+00
      3   0.293976D+01 -0.224099D+01  0.846315D+00  0.301238D+01 -0.479152D-02
               221           222           223           224           225 
      1   0.284624D+01  0.367750D+01  0.215496D+01  0.263651D+00 -0.117146D+02
      2  -0.293848D+01 -0.173818D+01 -0.255280D+01  0.799072D+00  0.178309D+01
      3   0.404405D+01  0.207095D+01  0.219746D+01 -0.121199D+01 -0.255345D+01
               226           227           228           229           230 
      1   0.149921D+01 -0.139823D+01  0.125347D+01  0.288848D+01 -0.102413D+02
      2   0.198518D+01  0.263467D+00  0.179228D+01  0.302956D+01  0.343042D+00
      3   0.109637D-01  0.914860D+00 -0.820411D+00  0.360664D+00  0.125073D+02
               231           232           233           234           235 
      1   0.400162D+00  0.300754D+01 -0.277463D+01  0.408139D+00 -0.277394D+01
      2  -0.881549D+00  0.155705D+01 -0.192704D+01  0.684169D+00 -0.219537D+00
      3  -0.197661D+01 -0.829374D+00  0.277597D+01 -0.350295D-02  0.193441D+01
               236           237           238           239           240 
      1   0.104315D+01 -0.255938D+01  0.113087D+01  0.317415D+00  0.189877D+01
      2   0.187006D+01 -0.331722D+01  0.706450D+00  0.119006D+01  0.144469D+01
      3  -0.930981D+00 -0.812998D-01  0.322508D+00  0.841329D-01 -0.166145D+01
               241           242           243           244           245 
      1   0.159120D+01  0.619658D+00  0.688257D+01 -0.248081D+01 -0.281244D+01
      2  -0.114487D+01 -0.266177D+01  0.142711D+02  0.811291D+01 -0.480339D+01
      3  -0.203570D+01 -0.138518D+01  0.143878D+01 -0.118688D+02  0.509763D+01
               246           247           248           249           250 
      1   0.206773D+01 -0.147368D+00 -0.116796D+01 -0.174344D+01  0.260127D+01
      2  -0.356355D+01 -0.172543D+01  0.321170D+00  0.926790D+00 -0.242250D+01
      3   0.623459D+01  0.305508D+01 -0.937099D+00 -0.962656D+00  0.197066D+01
               251           252           253           254           255 
      1  -0.480950D-01 -0.181361D+01 -0.239809D+01 -0.550436D+00 -0.556899D+01
      2   0.207079D+00  0.179247D+01 -0.181416D+01 -0.147465D+01 -0.159934D+01
      3  -0.753496D+00 -0.294986D+01  0.224497D+01  0.872941D+00  0.302837D+01
               256           257           258           259           260 
      1   0.442541D+00  0.281236D+01  0.363296D+01 -0.215797D+01  0.240286D+00
      2   0.820281D+00  0.294762D+01  0.174101D+01 -0.256388D+01 -0.813969D+00
      3   0.126634D-01 -0.403823D+01 -0.205972D+01  0.220188D+01  0.122933D+01
               261           262           263           264           265 
      1  -0.117061D+02  0.458529D+01 -0.360034D+01 -0.331763D+01 -0.498655D+01
      2  -0.182771D+01  0.282785D+01 -0.117728D+01  0.771681D+00 -0.526040D+01
      3   0.256731D+01  0.724017D+01 -0.564558D+01 -0.364286D+01 -0.777534D+01
               266           267           268           269           270 
      1   0.483587D+01  0.234322D+01 -0.170933D+01  0.249085D+01  0.233867D+01
      2  -0.802084D+00  0.661559D+00  0.543271D+00 -0.995739D+00 -0.623646D+00
      3   0.554574D+01  0.434754D+01 -0.125670D+01  0.872931D+00  0.286523D+01
               271           272           273           274           275 
      1   0.101460D+01  0.148695D+01  0.920032D+00 -0.196938D+00 -0.120921D+00
      2   0.260322D+01  0.384490D+01 -0.673614D+01  0.202367D+01 -0.134452D+01
      3   0.277246D+01  0.277889D+01 -0.328231D+01  0.203515D+01 -0.837249D+00
               276           277           278           279           280 
      1  -0.988863D+00  0.112692D+00  0.143577D+01  0.421052D+01  0.850150D+00
      2   0.259926D+01 -0.151914D+01  0.276984D+01 -0.115374D+02  0.370410D+01
      3   0.143583D+01 -0.271273D-01  0.232067D+01 -0.240126D+01 -0.279060D+01
               281           282           283           284           285 
      1   0.543497D-01  0.188813D+00  0.133377D+01  0.535287D+01  0.570172D+00
      2  -0.656943D+00  0.255472D+00 -0.770117D+00  0.623380D+01  0.808951D+01
      3  -0.892078D+00 -0.394247D+00 -0.132825D+01 -0.164042D+02 -0.755956D+01
               286           287           288           289           290 
      1   0.458659D-01  0.289367D+01  0.114445D+01 -0.152994D+01  0.160036D+01
      2  -0.342317D+00  0.543742D+01  0.645252D+01 -0.299482D+00 -0.593616D+00
      3  -0.857027D+00 -0.586455D+01 -0.592232D+01  0.543896D+01 -0.665639D+01
               291           292           293           294           295 
      1  -0.186916D+00  0.162958D+01 -0.146517D+01 -0.152628D+00 -0.138038D+00
      2   0.605745D+01  0.356603D+01  0.127640D+01 -0.157790D+01  0.221522D+01
      3   0.241900D+01 -0.351731D+01  0.488980D+01 -0.339127D+01  0.527485D-01
               296           297           298           299           300 
      1   0.137258D+01  0.107978D+00 -0.151707D+01 -0.159212D+01  0.157542D+00
      2  -0.141753D+01  0.266248D+01  0.280747D+00 -0.588607D+00  0.604893D+01
      3  -0.306396D+01  0.109192D+01 -0.541574D+01 -0.666448D+01  0.239704D+01
               301           302           303           304           305 
      1  -0.165131D+01 -0.147419D+01 -0.163474D+00  0.127315D+00  0.136226D+01
      2   0.357868D+01 -0.126541D+01  0.161081D+01  0.220781D+01  0.143011D+01
      3  -0.355081D+01 -0.495567D+01  0.340069D+01  0.376476D-01  0.305940D+01
               306           307           308           309           310 
      1   0.116194D+00  0.874545D+00 -0.731805D-01 -0.195823D+00 -0.135147D+01
      2  -0.263670D+01 -0.371808D+01 -0.633169D+00  0.307497D+00 -0.750946D+00
      3  -0.109157D+01  0.282183D+01 -0.964781D+00 -0.446466D+00 -0.141336D+01
               311           312           313           314           315 
      1   0.535450D+01  0.587033D+00 -0.661396D-01  0.290588D+01  0.116016D+01
      2  -0.621149D+01 -0.808713D+01 -0.308102D+00 -0.541989D+01 -0.644528D+01
      3   0.164026D+02  0.755449D+01 -0.902246D+00  0.586097D+01  0.592111D+01
               316           317           318           319           320 
      1  -0.276686D+01 -0.105807D+01  0.255860D+01 -0.115478D+01  0.320499D+00
      2   0.206845D+00  0.185631D+01 -0.328869D+01  0.703727D+00 -0.117747D+01
      3  -0.194678D+01 -0.946189D+00 -0.692965D-01  0.299380D+00 -0.777264D-01
               321           322           323           324           325 
      1   0.193134D+01 -0.159849D+01  0.606886D+00  0.694485D+01  0.152977D+01
      2  -0.148080D+01 -0.114746D+01  0.263948D+01 -0.142533D+02 -0.199657D+01
      3   0.166701D+01 -0.204672D+01  0.136792D+01 -0.140788D+01  0.197871D-01
               326           327           328           329           330 
      1   0.144512D+01 -0.126366D+01 -0.286954D+01 -0.102436D+02  0.414139D+00
      2   0.264706D+00  0.178413D+01  0.301683D+01 -0.388793D+00  0.892695D+00
      3   0.971653D+00 -0.844339D+00  0.381039D+00 -0.125109D+02  0.200551D+01
               331           332           333 
      1  -0.299664D+01 -0.277258D+01  0.408089D+00
      2   0.153139D+01  0.192164D+01 -0.687304D+00
      3  -0.839699D+00 -0.275950D+01  0.531448D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.199600D+02  0.244083D+02 -0.199657D+02  0.301993D+02 -0.309950D+01
      2   0.124596D+02 -0.138800D+02  0.991090D+01 -0.177282D+02  0.299992D+01
      3   0.750040D+01 -0.105283D+02  0.100548D+02 -0.124711D+02  0.995840D-01
      4   0.226352D+02 -0.721161D+01  0.427154D+01 -0.944303D+01 -0.119747D+02
      5  -0.200812D+02  0.552577D+01 -0.791075D+01  0.997918D+01 -0.188679D+02
      6   0.688399D+01 -0.102076D+01 -0.400310D+00 -0.488247D+01 -0.520850D+01
                 6             7             8             9            10 
      1   0.756706D+01 -0.166201D+02  0.533146D+01 -0.378950D+01 -0.195600D+02
      2  -0.466193D+01  0.810233D+01 -0.337153D+01  0.303685D+00  0.121216D+02
      3  -0.290512D+01  0.851779D+01 -0.195993D+01  0.348581D+01  0.743839D+01
      4  -0.164507D+02  0.480481D+01 -0.134358D+02 -0.391779D+01 -0.227132D+02
      5  -0.568373D+01 -0.791296D+01 -0.386320D+01  0.499349D+01  0.199232D+02
      6  -0.667487D+01  0.706016D+00 -0.567201D+01 -0.161652D+01  0.690256D+01
                11            12            13            14            15 
      1  -0.244217D+02  0.198819D+02 -0.302306D+02 -0.352193D+01  0.742637D+01
      2   0.138403D+02 -0.982477D+01  0.177000D+02  0.325278D+01 -0.454136D+01
      3   0.105815D+02 -0.100571D+02  0.125306D+02  0.269156D+00 -0.288501D+01
      4  -0.756131D+01  0.424413D+01 -0.985324D+01  0.118883D+02  0.165206D+02
      5   0.542775D+01 -0.784024D+01  0.986938D+01  0.189558D+02  0.570157D+01
      6   0.109631D+01  0.433920D+00  0.498028D+01 -0.509971D+01 -0.662591D+01
                16            17            18            19            20 
      1   0.165118D+02  0.519813D+01 -0.371989D+01  0.140810D+02  0.131199D+02
      2  -0.800597D+01 -0.325565D+01  0.287872D+00 -0.152319D+02 -0.944783D+01
      3  -0.850582D+01 -0.194248D+01  0.343202D+01  0.115096D+01 -0.367210D+01
      4   0.477004D+01  0.134925D+02  0.392499D+01  0.594133D+01  0.468330D+00
      5  -0.783907D+01  0.388380D+01 -0.502920D+01 -0.113435D+02 -0.334258D+01
      6  -0.677633D+00 -0.565279D+01 -0.162468D+01 -0.813580D+01  0.101701D+01
                21            22            23            24            25 
      1  -0.117254D+02  0.695130D+01  0.210884D+01  0.147568D+01 -0.576947D+01
      2   0.113057D+02 -0.511032D+01 -0.846583D+01  0.762894D+00  0.612018D+01
      3   0.419672D+00 -0.184098D+01  0.635698D+01 -0.223857D+01 -0.350715D+00
      4  -0.136936D+01  0.176313D+00 -0.116450D+02 -0.197105D+01 -0.153288D+01
      5   0.870489D+01 -0.235393D+01 -0.293896D+01  0.164293D+01  0.626302D+01
      6   0.181790D+01 -0.905832D-01  0.477006D+01  0.410827D+01  0.463081D+00
                26            27            28            29            30 
      1  -0.420396D+00  0.103920D+02 -0.127035D+02 -0.142289D-02  0.208618D-01
      2  -0.176621D+00  0.408158D+01  0.300161D+01 -0.312570D-02 -0.247002D-01
      3   0.597018D+00 -0.144736D+02  0.970191D+01  0.454860D-02  0.383838D-02
      4   0.801310D-04 -0.109694D+01  0.203421D-02 -0.737688D+01 -0.484277D+01
      5  -0.144773D+00  0.664802D+01  0.164535D-01 -0.287254D+01 -0.371701D+01
      6   0.377686D+01  0.218522D+01 -0.250056D+01 -0.860279D-02  0.716474D-02
                31            32            33            34            35 
      1  -0.249690D-02  0.319199D+01 -0.542043D+01  0.148483D-01 -0.775938D+01
      2   0.953824D-03 -0.118204D+02  0.653760D+01 -0.225030D-01  0.848094D+01
      3   0.154308D-02  0.862841D+01 -0.111717D+01  0.765467D-02 -0.721558D+00
      4  -0.834975D+01  0.736122D-02 -0.237056D-01 -0.775293D+01 -0.193222D-01
      5  -0.281421D+01 -0.594416D-02 -0.208459D-02  0.368357D+01 -0.329898D-02
      6  -0.831150D-02  0.350451D+01 -0.362876D+01  0.871883D-02  0.280903D+01
                36            37            38            39            40 
      1   0.471189D+00 -0.597828D+01  0.153541D+01  0.100313D+02  0.751578D+00
      2   0.844299D+00  0.970080D+01 -0.425818D+01 -0.715972D+01 -0.220684D+00
      3  -0.131549D+01 -0.372253D+01  0.272277D+01 -0.287155D+01 -0.530894D+00
      4  -0.352761D-02  0.107044D+02  0.602048D+01 -0.858596D+01  0.961025D+01
      5   0.109055D-01  0.234255D+01 -0.118692D+02  0.346739D+01 -0.111526D+02
      6  -0.777632D+00 -0.402614D+01 -0.542218D+01  0.665871D+01 -0.439033D+01
                41            42            43            44            45 
      1  -0.687197D+01 -0.525411D+01  0.918867D+01 -0.565188D+01  0.614190D+01
      2   0.478120D+01 -0.436574D+01 -0.477770D+01 -0.953676D+00  0.144257D+01
      3   0.209077D+01  0.961985D+01 -0.441097D+01  0.660555D+01 -0.758447D+01
      4   0.749844D+01 -0.971901D+01 -0.372342D+01 -0.693797D+01  0.275577D+01
      5  -0.493239D+01  0.367235D+01  0.273766D+01  0.123702D+01  0.692203D+00
      6  -0.346394D+01  0.185697D+01  0.457155D+01  0.360200D+00  0.604788D+01
                46            47            48            49            50 
      1  -0.807590D+01  0.136186D+01 -0.140783D+02  0.155977D+01 -0.612679D+00
      2   0.214587D+01 -0.209574D+01  0.178078D+02 -0.504646D+01  0.156915D+00
      3   0.593003D+01  0.733882D+00 -0.372948D+01  0.348669D+01  0.455764D+00
      4  -0.122442D+02 -0.881035D+01  0.784541D+01 -0.127616D+02 -0.931685D+01
      5  -0.369782D+01  0.134728D+02 -0.922949D+01  0.136346D+02  0.121666D+02
      6   0.936912D+00  0.152013D+02 -0.970729D+01  0.153674D+02  0.123330D+02
                51            52            53            54            55 
      1   0.650173D+01 -0.171863D+02  0.751914D+01 -0.910376D+01  0.264293D+01
      2   0.644428D+01  0.202885D+02  0.395277D+01  0.477502D+01 -0.259992D+01
      3  -0.129460D+02 -0.310212D+01 -0.114719D+02  0.432874D+01 -0.430097D-01
      4   0.201914D+02  0.116020D+02  0.241146D+02 -0.113238D+02  0.367655D+01
      5  -0.212708D+01 -0.139750D+02 -0.462573D+01  0.161347D+01  0.147201D+01
      6  -0.546684D+01 -0.124877D+02 -0.569477D+01  0.241614D+01  0.623727D+01
                56            57            58            59            60 
      1   0.416691D+01  0.114150D+02  0.248169D+01  0.157856D+02  0.313924D+01
      2  -0.601068D+01 -0.204519D+02 -0.116785D+01 -0.234813D+02 -0.136018D+02
      3   0.184377D+01  0.903691D+01 -0.131383D+01  0.769561D+01  0.104625D+02
      4  -0.687017D+01  0.143486D+01 -0.339513D+01 -0.102875D+02 -0.200405D+02
      5  -0.360794D+01 -0.113872D+01 -0.368630D+01 -0.873634D+01 -0.416233D+01
      6  -0.181277D+02  0.362938D+01 -0.175902D+02 -0.192631D+02 -0.120255D+02
                61            62            63            64            65 
      1   0.145070D+02  0.788159D+01  0.106680D+02  0.293160D+01 -0.480115D+01
      2  -0.225471D+02 -0.177157D+02 -0.144879D+02 -0.221143D+01  0.395335D+01
      3   0.804009D+01  0.983412D+01  0.381986D+01 -0.720170D+00  0.847795D+00
      4   0.243524D+01 -0.242461D+02  0.148098D+01  0.721626D+01  0.153398D+01
      5  -0.477951D+00 -0.364721D+01 -0.119146D+01  0.283092D+01 -0.300021D+01
      6   0.421754D+01 -0.180733D+02 -0.999629D+00 -0.673733D+01  0.801439D+01
                66            67            68            69            70 
      1  -0.105011D+01 -0.444425D+01 -0.108939D+02 -0.532557D+01 -0.236938D+01
      2   0.106608D+02  0.509961D+00  0.120803D+02  0.801273D+01  0.103029D+02
      3  -0.961067D+01  0.393429D+01 -0.118636D+01 -0.268717D+01 -0.793353D+01
      4  -0.265814D+01 -0.204927D+01  0.133226D+02  0.117450D+02 -0.306321D+01
      5  -0.261087D+01 -0.204700D+01  0.151722D+01  0.279845D+01 -0.161656D+01
      6  -0.248705D-01  0.922525D+01  0.125684D+02  0.701855D+01 -0.172406D+01
                71            72            73            74            75 
      1  -0.305791D+01  0.374475D+00  0.141914D+02 -0.130843D+02  0.116931D+02
      2   0.263243D+01  0.604642D+01 -0.153004D+02  0.943722D+01 -0.113129D+02
      3   0.425484D+00 -0.642090D+01  0.110907D+01  0.364708D+01 -0.380237D+00
      4   0.687759D+01 -0.130601D+01 -0.582257D+01  0.299537D+00 -0.130149D+01
      5   0.174635D+01 -0.524070D+01  0.113839D+02 -0.333137D+01  0.874662D+01
      6   0.415200D+01 -0.373222D+01 -0.808759D+01 -0.107566D+01 -0.182286D+01
                76            77            78            79            80 
      1  -0.690214D+01  0.191490D+01  0.148013D+01  0.577596D+01 -0.440719D+00
      2   0.508347D+01 -0.832135D+01  0.690614D+00 -0.614082D+01 -0.228680D+00
      3   0.181867D+01  0.640645D+01 -0.217074D+01  0.364865D+00  0.669399D+00
      4   0.495389D-01  0.116830D+02  0.198487D+01 -0.149742D+01  0.125972D-01
      5  -0.233186D+01  0.291555D+01 -0.159540D+01  0.628663D+01  0.179715D+00
      6   0.302490D-01  0.474566D+01  0.409521D+01 -0.465599D+00  0.376485D+01
                81            82            83            84            85 
      1   0.104430D+02 -0.584746D+01 -0.150932D+01 -0.999632D+01 -0.756740D+00
      2   0.404874D+01  0.959855D+01  0.430630D+01  0.717029D+01  0.313515D+00
      3  -0.144918D+02 -0.375109D+01 -0.279698D+01  0.282603D+01  0.443225D+00
      4   0.114043D+01 -0.108064D+02  0.602900D+01 -0.870012D+01  0.960434D+01
      5  -0.662433D+01 -0.226953D+01 -0.119314D+02  0.345079D+01 -0.112060D+02
      6   0.221419D+01 -0.406343D+01  0.542987D+01 -0.668336D+01  0.437971D+01
                86            87            88            89            90 
      1  -0.681884D+01 -0.538993D+01 -0.919031D+01 -0.577301D+01  0.610174D+01
      2   0.477981D+01 -0.425754D+01  0.480502D+01 -0.856718D+00  0.139105D+01
      3   0.203903D+01  0.964747D+01  0.438529D+01  0.662973D+01 -0.749279D+01
      4  -0.752740D+01  0.969982D+01 -0.381437D+01  0.691870D+01 -0.274208D+01
      5   0.485040D+01 -0.369832D+01  0.269827D+01 -0.126033D+01 -0.692820D+00
      6  -0.342208D+01  0.178411D+01 -0.459299D+01  0.319926D+00  0.602604D+01
                91            92            93            94            95 
      1  -0.820891D+01 -0.139768D+01  0.139990D+02 -0.154223D+01 -0.723166D+00
      2   0.223865D+01  0.212616D+01 -0.178130D+02  0.501176D+01  0.226325D+00
      3   0.597026D+01 -0.728478D+00  0.381401D+01 -0.346952D+01  0.496841D+00
      4   0.122868D+02 -0.884359D+01  0.807629D+01 -0.127880D+02  0.931802D+01
      5   0.358854D+01  0.136194D+02 -0.922154D+01  0.137603D+02 -0.120891D+02
      6   0.107756D+01 -0.152276D+02  0.963774D+01 -0.153676D+02  0.121669D+02
                96            97            98            99           100 
      1   0.673411D+01  0.170851D+02  0.780934D+01 -0.914485D+01  0.271582D+01
      2   0.621097D+01 -0.202414D+02  0.365826D+01  0.486628D+01 -0.269183D+01
      3  -0.129451D+02  0.315631D+01 -0.114676D+02  0.427857D+01 -0.239860D-01
      4  -0.201615D+02  0.118571D+02 -0.240492D+02  0.111810D+02 -0.361505D+01
      5   0.209490D+01 -0.139723D+02  0.454273D+01 -0.162186D+01 -0.146602D+01
      6  -0.538026D+01  0.123830D+02 -0.558152D+01  0.240767D+01  0.607733D+01
               101           102           103           104           105 
      1  -0.410990D+01 -0.114595D+02 -0.242618D+01  0.156221D+02  0.288146D+01
      2   0.593087D+01  0.205571D+02  0.107388D+01 -0.232218D+02 -0.132343D+02
      3  -0.182096D+01 -0.909754D+01  0.135230D+01  0.759967D+01  0.103529D+02
      4  -0.701168D+01  0.120857D+01 -0.346661D+01  0.102456D+02  0.201112D+02
      5  -0.373450D+01 -0.117143D+01 -0.380132D+01  0.877291D+01  0.422938D+01
      6   0.182616D+02 -0.349363D+01  0.176894D+02 -0.189824D+02 -0.120745D+02
               106           107           108           109           110 
      1  -0.145650D+02  0.760369D+01  0.106906D+02  0.292281D+01  0.483118D+01
      2   0.226584D+02 -0.173469D+02 -0.145586D+02 -0.224398D+01 -0.395373D+01
      3  -0.809339D+01  0.974317D+01  0.386802D+01 -0.678835D+00 -0.877452D+00
      4   0.215677D+01  0.243855D+02 -0.128660D+01 -0.718125D+01  0.158707D+01
      5  -0.497729D+00  0.376507D+01  0.121948D+01 -0.280662D+01 -0.296631D+01
      6  -0.405060D+01 -0.181716D+02 -0.106719D+01 -0.666048D+01 -0.809793D+01
               111           112           113           114           115 
      1   0.108036D+01  0.450493D+01 -0.107134D+02 -0.522984D+01  0.240347D+01
      2  -0.106978D+02 -0.556781D+00  0.118792D+02  0.783702D+01 -0.103268D+02
      3   0.961744D+01 -0.394815D+01 -0.116580D+01 -0.260718D+01  0.792332D+01
      4  -0.254619D+01 -0.201363D+01 -0.133836D+02 -0.117919D+02 -0.297096D+01
      5  -0.258076D+01 -0.201649D+01 -0.157124D+01 -0.284006D+01 -0.159791D+01
      6  -0.372567D-01 -0.929684D+01  0.124792D+02  0.703999D+01  0.166987D+01
               116           117           118           119           120 
      1  -0.301199D+01  0.356324D+00  0.324647D+02 -0.267227D+01  0.106517D+02
      2   0.251969D+01  0.611132D+01 -0.184969D+02  0.544243D+01 -0.755301D+01
      3   0.492302D+00 -0.646764D+01 -0.139678D+02 -0.277016D+01 -0.309865D+01
      4  -0.692300D+01  0.124387D+01  0.162249D+02  0.763070D+01  0.334908D+01
      5  -0.177880D+01  0.524554D+01  0.107632D+02 -0.190051D+01  0.958205D+01
      6   0.420303D+01 -0.368242D+01  0.526058D+01 -0.731877D+00  0.536450D+01
               121           122           123           124           125 
      1  -0.832613D+01  0.649553D+01 -0.420258D+01  0.171221D+02 -0.334634D+01
      2   0.747325D+01 -0.567933D+01  0.285023D+01 -0.126317D+02  0.497589D+01
      3   0.852879D+00 -0.816199D+00  0.135235D+01 -0.449035D+01 -0.162955D+01
      4   0.387158D+01 -0.265288D+00  0.307455D+00  0.736094D+01  0.240575D+01
      5  -0.333783D+01  0.258590D+01 -0.230687D+01  0.135535D+02 -0.101322D+00
      6  -0.161904D+01  0.680236D+00  0.349833D+00  0.790889D+01  0.188146D+01
               126           127           128           129           130 
      1   0.952440D+01  0.147788D+02  0.673099D+01 -0.377203D+01  0.237888D+01
      2  -0.808619D+01 -0.371328D+00  0.451913D+01 -0.667630D+00  0.101970D+02
      3  -0.143821D+01 -0.144075D+02 -0.112501D+02  0.443966D+01 -0.125758D+02
      4   0.568384D+01  0.284697D+02  0.229887D+02 -0.122203D+02  0.247283D+02
      5   0.127900D+02 -0.112818D+02 -0.909707D+01  0.100945D+02 -0.864792D+01
      6   0.807202D+01 -0.108233D+02 -0.923696D+01  0.832911D+01 -0.115138D+02
               131           132           133           134           135 
      1  -0.629905D+01  0.148921D+01 -0.240579D+01  0.162209D+01  0.159191D-01
      2   0.235348D+02 -0.723174D+01 -0.271230D+01 -0.773151D+01  0.195866D+01
      3  -0.172358D+02  0.574252D+01  0.511809D+01  0.610942D+01 -0.197458D+01
      4   0.319687D+02 -0.141184D+02 -0.182088D+02 -0.190079D+02  0.169611D+02
      5  -0.112294D+02  0.791303D+01  0.148555D+02  0.120406D+02 -0.151913D+02
      6  -0.169627D+02  0.125551D+02  0.143058D+02  0.166554D+02 -0.177779D+02
               136           137           138           139           140 
      1  -0.561110D+01  0.837664D+01 -0.397782D+01  0.467762D+01 -0.160609D+02
      2   0.864141D+01 -0.150256D+02  0.647009D+01 -0.786787D+01  0.268454D+02
      3  -0.303031D+01  0.664899D+01 -0.249227D+01  0.319025D+01 -0.107845D+02
      4  -0.152794D+02  0.866838D+01 -0.638963D+01  0.660654D+01 -0.480220D+01
      5   0.150839D+01 -0.396280D+00  0.157941D+01 -0.416519D+00  0.814231D+00
      6  -0.792504D+01  0.680578D+01 -0.760621D+01  0.448876D+01 -0.732275D+01
               141           142           143           144           145 
      1   0.464885D+01 -0.656520D+01  0.965286D+01 -0.895839D+01 -0.174699D+01
      2  -0.645910D+01  0.719664D+01 -0.138333D+02  0.985776D+01  0.807695D+01
      3   0.181025D+01 -0.631432D+00  0.418044D+01 -0.899372D+00 -0.632995D+01
      4   0.369574D+01 -0.871739D+01  0.591077D+01 -0.517662D+01  0.118494D+02
      5   0.381447D+00  0.180668D+01  0.607135D+00 -0.232656D+00  0.331506D+01
      6   0.841634D+01 -0.730938D+01  0.144009D+02 -0.159226D+02  0.540677D+01
               146           147           148           149           150 
      1  -0.261997D+01 -0.182919D+01 -0.385903D+01 -0.318904D+02 -0.110656D+02
      2   0.111181D+02  0.461227D+01  0.108055D+02  0.590926D+02  0.180886D+02
      3  -0.849818D+01 -0.278308D+01 -0.694644D+01 -0.272023D+02 -0.702303D+01
      4   0.183289D+02  0.621963D+01  0.132307D+02  0.249580D+02  0.922198D+01
      5   0.523669D+01  0.453621D+01  0.317877D+01  0.871176D+01  0.498060D+01
      6   0.787325D+01  0.450783D+01  0.711647D+01  0.261112D+02  0.168805D+02
               151           152           153           154           155 
      1  -0.307583D+01 -0.168702D+02 -0.125691D+02 -0.569917D+01 -0.843918D+01
      2   0.592091D+01  0.253840D+02  0.152864D+02  0.871821D+01  0.150937D+02
      3  -0.284508D+01 -0.851380D+01 -0.271732D+01 -0.301904D+01 -0.665452D+01
      4   0.672358D+01  0.145171D+02  0.875475D+01  0.151700D+02  0.865647D+01
      5   0.447706D+01  0.796995D+01  0.704482D+01 -0.145525D+01 -0.367563D+00
      6   0.581298D+01  0.258169D+02  0.202442D+02 -0.786571D+01 -0.680515D+01
               156           157           158           159           160 
      1   0.400544D+01 -0.471793D+01 -0.162263D+02  0.471164D+01  0.659279D+01
      2  -0.650085D+01  0.790348D+01  0.271262D+02 -0.656326D+01 -0.722789D+01
      3   0.249541D+01 -0.318555D+01 -0.108999D+02  0.185162D+01  0.635095D+00
      4  -0.631967D+01  0.661858D+01  0.473922D+01 -0.367052D+01 -0.862253D+01
      5   0.154279D+01 -0.399830D+00 -0.783900D+00 -0.409999D+00  0.177108D+01
      6   0.755333D+01 -0.448931D+01 -0.741001D+01  0.845669D+01  0.723877D+01
               161           162           163           164           165 
      1   0.974961D+01 -0.898996D+01 -0.167417D+01  0.259947D+01  0.183432D+01
      2  -0.139751D+02  0.992975D+01  0.805436D+01 -0.111651D+02 -0.465055D+01
      3   0.422546D+01 -0.939788D+00 -0.638019D+01  0.856564D+01  0.281623D+01
      4  -0.585899D+01  0.508690D+01 -0.120312D+02  0.184365D+02  0.630993D+01
      5  -0.661959D+00  0.297676D+00 -0.339352D+01  0.531332D+01  0.460117D+01
      6   0.144413D+02 -0.158818D+02  0.547892D+01 -0.797313D+01 -0.459799D+01
               166           167           168           169           170 
      1   0.385838D+01 -0.315548D+02 -0.109873D+02  0.309514D+01 -0.167633D+02
      2  -0.108569D+02  0.585520D+02  0.179822D+02 -0.597115D+01  0.252422D+02
      3   0.699855D+01 -0.269972D+02 -0.699496D+01  0.287601D+01 -0.847888D+01
      4   0.133232D+02 -0.251102D+02 -0.932935D+01  0.684614D+01 -0.146865D+02
      5   0.324125D+01 -0.879419D+01 -0.504152D+01  0.455513D+01 -0.808415D+01
      6  -0.720830D+01  0.260360D+02  0.168709D+02 -0.593873D+01  0.258186D+02
               171           172           173           174           175 
      1  -0.125300D+02  0.325742D+02  0.276132D+01 -0.106491D+02  0.843209D+01
      2   0.152141D+02 -0.186023D+02 -0.547067D+01  0.756839D+01 -0.751970D+01
      3  -0.268401D+01 -0.139719D+02  0.270935D+01  0.308076D+01 -0.912396D+00
      4  -0.890696D+01 -0.160488D+02  0.759618D+01  0.326001D+01  0.387515D+01
      5  -0.717134D+01 -0.107436D+02 -0.195640D+01  0.957304D+01 -0.338465D+01
      6   0.203279D+02  0.519930D+01  0.751183D+00 -0.531105D+01  0.163462D+01
               176           177           178           179           180 
      1   0.657155D+01 -0.424521D+01 -0.171428D+02 -0.342114D+01  0.955607D+01
      2  -0.576090D+01  0.287722D+01  0.126671D+02  0.502040D+01 -0.812786D+01
      3  -0.810654D+00  0.136799D+01  0.447570D+01 -0.159926D+01 -0.142822D+01
      4   0.384209D+00 -0.317186D+00  0.720577D+01 -0.239441D+01 -0.557968D+01
      5  -0.261669D+01  0.235072D+01  0.135581D+02  0.177152D+00 -0.127894D+02
      6   0.667546D+00  0.331335D+00 -0.784125D+01  0.183645D+01  0.799704D+01
               181           182           183           184           185 
      1   0.150379D+02 -0.682379D+01  0.385344D+01 -0.248092D+01 -0.610153D+01
      2  -0.513599D+00 -0.446245D+01  0.613759D+00 -0.101270D+02  0.232919D+02
      3  -0.145243D+02  0.112862D+02 -0.446719D+01  0.126079D+02 -0.171904D+02
      4  -0.286216D+02  0.230295D+02 -0.122625D+02  0.247884D+02 -0.319410D+02
      5   0.113773D+02 -0.913207D+01  0.101391D+02 -0.868074D+01  0.112097D+02
      6  -0.108562D+02  0.922772D+01 -0.832792D+01  0.114922D+02 -0.168299D+02
               186           187           188           189           190 
      1   0.139468D+01  0.252423D+01  0.148502D+01  0.134695D+00  0.194141D+02
      2  -0.712116D+01  0.261279D+01 -0.757556D+01  0.184653D+01 -0.158156D+02
      3   0.572649D+01 -0.513702D+01  0.609054D+01 -0.198123D+01 -0.359852D+01
      4   0.140884D+02 -0.182505D+02  0.189496D+02 -0.169378D+02  0.159119D+01
      5  -0.791026D+01  0.149177D+02 -0.120259D+02  0.152198D+02  0.146423D+02
      6   0.124797D+02 -0.142815D+02  0.165373D+02 -0.176840D+02  0.802011D+00
               191           192           193           194           195 
      1   0.519038D+01  0.707907D+01  0.757343D+01  0.540195D+01  0.362413D+01
      2  -0.689772D+01 -0.878405D+01 -0.840481D+01 -0.593790D+01 -0.588582D+01
      3   0.170734D+01  0.170498D+01  0.831381D+00  0.535950D+00  0.226169D+01
      4   0.594059D+01  0.183089D+01  0.930157D+00  0.756930D+01  0.390441D+00
      5   0.476766D+01  0.100320D+02  0.106641D+02  0.275185D+01  0.729625D+01
      6   0.135107D+01 -0.417427D+00  0.756364D+00  0.283102D+01  0.252691D+00
               196           197           198           199           200 
      1   0.338383D+01  0.139144D+01  0.180738D+01 -0.263346D+01 -0.216687D+01
      2  -0.656119D+01 -0.214281D+01 -0.746546D+01 -0.139370D+01  0.111421D+01
      3   0.317736D+01  0.751374D+00  0.565807D+01  0.402716D+01  0.105265D+01
      4   0.321385D+01  0.382716D-01  0.221705D+01  0.596724D+01 -0.281762D+01
      5   0.740455D+01  0.382720D+01  0.818854D+01 -0.238077D+01  0.232449D+01
      6   0.513759D+00  0.140779D+01 -0.559007D+00  0.200129D-01 -0.310334D+01
               201           202           203           204           205 
      1   0.675715D+01 -0.619126D+00 -0.470833D+01  0.601296D+01  0.280730D+01
      2   0.103062D+01 -0.509370D+00  0.206377D+01 -0.854707D+00 -0.136430D+01
      3  -0.778777D+01  0.112850D+01  0.264456D+01 -0.515825D+01 -0.144300D+01
      4   0.543554D+00  0.138642D+01 -0.171720D+01  0.306937D+00 -0.267983D+01
      5  -0.444534D+00  0.565382D+00  0.875124D+00 -0.169114D+01  0.396733D+01
      6   0.556565D+01 -0.725746D+00 -0.572152D+01  0.832741D+01  0.565039D-01
               206           207           208           209           210 
      1   0.528369D+01 -0.172677D+02 -0.117634D-01 -0.726235D+01 -0.428112D+01
      2  -0.227634D+00 -0.109317D+02 -0.305196D+00  0.913629D+01  0.179194D+01
      3  -0.505606D+01  0.281994D+02  0.316960D+00 -0.187394D+01  0.248917D+01
      4   0.267818D+01  0.654843D+00  0.169637D+02  0.699024D+01  0.764582D+01
      5  -0.196755D+01  0.107136D+02  0.890213D+01  0.518748D+01  0.533950D+01
      6   0.701456D+01 -0.165849D+02  0.913639D+01  0.106612D+02  0.968550D+01
               211           212           213           214           215 
      1  -0.218684D+01 -0.243133D+01 -0.141109D+01 -0.169929D+01 -0.851968D+00
      2   0.291596D+01  0.605213D+01  0.939383D+00 -0.464245D+00 -0.171119D+01
      3  -0.729118D+00 -0.362080D+01  0.471705D+00  0.216353D+01  0.256316D+01
      4   0.769533D+01  0.746668D+01  0.468120D+01  0.433828D+01  0.414415D+01
      5   0.290517D+01  0.291356D+01  0.230788D+01  0.453069D+01  0.208379D+01
      6   0.536878D+01  0.422870D+01  0.491824D+01  0.534819D+01  0.440044D+01
               216           217           218           219           220 
      1  -0.362733D+01 -0.569595D+00  0.314145D+01  0.226861D+01  0.129261D+00
      2  -0.205779D+01 -0.334387D+01 -0.422798D+01  0.592989D+01 -0.123760D+01
      3   0.568512D+01  0.391347D+01  0.108653D+01 -0.819849D+01  0.110834D+01
      4   0.514014D+01 -0.346484D+01  0.407141D+01  0.423076D+01  0.463470D+00
      5   0.352073D+01 -0.477781D+01  0.171478D+01  0.794821D+01  0.470331D+00
      6   0.782131D+01  0.437236D+01 -0.281456D+01 -0.673760D+01  0.429741D-02
               221           222           223           224           225 
      1   0.290650D+01  0.169790D+01  0.161444D+01 -0.423595D+01 -0.113373D+02
      2  -0.574246D+01  0.201597D+01  0.353741D+01  0.287140D+01 -0.155271D+02
      3   0.283595D+01 -0.371388D+01 -0.515185D+01  0.136455D+01  0.268644D+02
      4   0.186171D+01  0.770259D+00  0.353943D+01 -0.161813D+01 -0.248756D+01
      5  -0.134667D+01  0.762105D+00  0.551814D+01 -0.893282D+00 -0.935736D+01
      6  -0.223474D+01  0.462852D+00 -0.308296D+01  0.575835D+01  0.178329D+02
               226           227           228           229           230 
      1  -0.923964D+00 -0.257205D+00 -0.151925D+01 -0.531409D+01 -0.111343D+02
      2   0.452486D+01 -0.233897D+01  0.187042D+01  0.132808D+01  0.202771D+02
      3  -0.360089D+01  0.259618D+01 -0.351172D+00  0.398601D+01 -0.914282D+01
      4  -0.266120D+01  0.528530D+01  0.460595D+00  0.760278D+01 -0.203678D+02
      5  -0.189108D+01 -0.194578D+00 -0.322576D+00 -0.442469D+01  0.266305D+01
      6   0.640302D+00  0.370302D+00 -0.100695D+00  0.322225D+01 -0.118155D+02
               231           232           233           234           235 
      1   0.166411D+01 -0.542440D+01  0.205992D+01 -0.417318D+01 -0.286981D+01
      2  -0.183019D+00  0.382991D+01  0.816687D+00  0.229227D+01  0.265348D+00
      3  -0.148109D+01  0.159449D+01 -0.287660D+01  0.188091D+01  0.260446D+01
      4   0.371966D+01  0.184031D+01 -0.215519D+01 -0.178436D+01  0.120981D+01
      5  -0.436561D+01 -0.160322D+01 -0.168459D+01 -0.136711D+00 -0.304603D+00
      6   0.508533D+01  0.285057D+00  0.246495D+01 -0.177355D+01  0.151066D+01
               236           237           238           239           240 
      1   0.106742D+01  0.319633D+01  0.388727D+01 -0.338372D+01  0.108531D+01
      2  -0.171877D+01  0.126552D+01 -0.384523D+01  0.743341D+00 -0.321995D+01
      3   0.651349D+00 -0.446185D+01 -0.420369D-01  0.264038D+01  0.213464D+01
      4  -0.574900D+00  0.256739D+00  0.644419D+00 -0.845387D+00  0.214677D+01
      5   0.145883D+01  0.143055D+01  0.200679D+01  0.142520D+01  0.182123D+01
      6  -0.722399D+00  0.186502D+01 -0.254992D-01 -0.186976D+01  0.428682D+01
               241           242           243           244           245 
      1   0.393431D+01  0.360352D+01 -0.198422D+02  0.660934D-01  0.722983D+01
      2  -0.527312D+01  0.501444D+00 -0.153301D+02 -0.378155D+00 -0.911951D+01
      3   0.133881D+01 -0.410497D+01  0.351722D+02  0.312061D+00  0.188968D+01
      4  -0.149068D+01  0.335581D+01 -0.243478D+01 -0.170228D+02  0.701799D+01
      5   0.638536D+01 -0.346174D+01  0.205936D+02 -0.896231D+01  0.520914D+01
      6  -0.121654D+01  0.519147D+01 -0.956226D+01  0.917862D+01 -0.106350D+02
               246           247           248           249           250 
      1   0.424255D+01  0.214322D+01 -0.235396D+01 -0.136919D+01  0.168062D+01
      2  -0.174783D+01 -0.288439D+01  0.595751D+01  0.899816D+00  0.495783D+00
      3  -0.249472D+01  0.741172D+00 -0.360355D+01  0.469373D+00 -0.217641D+01
      4   0.769745D+01  0.767438D+01 -0.744921D+01 -0.466633D+01  0.436879D+01
      5   0.539319D+01  0.290449D+01 -0.289666D+01 -0.230194D+01  0.456495D+01
      6  -0.969695D+01 -0.534322D+01  0.416626D+01  0.488890D+01 -0.535634D+01
               251           252           253           254           255 
      1  -0.830133D+00 -0.360571D+01 -0.580204D+00 -0.319036D+01 -0.230833D+01
      2  -0.173409D+01 -0.208697D+01 -0.334614D+01  0.426533D+01 -0.591256D+01
      3   0.256422D+01  0.569268D+01  0.392635D+01 -0.107496D+01  0.822089D+01
      4  -0.412901D+01 -0.515009D+01  0.347191D+01  0.407270D+01  0.426616D+01
      5  -0.208499D+01 -0.355293D+01  0.477212D+01  0.172581D+01  0.794520D+01
      6   0.439701D+01  0.783584D+01  0.439748D+01  0.285619D+01  0.679503D+01
               256           257           258           259           260 
      1  -0.148247D+00  0.291186D+01  0.168302D+01 -0.162825D+01 -0.426851D+01
      2   0.125245D+01 -0.573309D+01  0.197660D+01 -0.353437D+01  0.286159D+01
      3  -0.110420D+01  0.282122D+01 -0.365962D+01  0.516262D+01  0.140692D+01
      4   0.482528D+00 -0.180437D+01 -0.753354D+00  0.355633D+01  0.161526D+01
      5   0.483364D+00  0.136360D+01 -0.729530D+00  0.551335D+01  0.905092D+00
      6   0.248194D-01 -0.220350D+01  0.498393D+00  0.310212D+01  0.580013D+01
               261           262           263           264           265 
      1  -0.113559D+02  0.195468D+02 -0.521781D+01 -0.709474D+01 -0.757196D+01
      2  -0.154754D+02 -0.158955D+02  0.691734D+01  0.878132D+01  0.838206D+01
      3   0.268313D+02 -0.365137D+01 -0.169953D+01 -0.168657D+01 -0.810100D+00
      4   0.253070D+01 -0.152199D+01  0.594375D+01  0.177977D+01  0.901906D+00
      5   0.931785D+01 -0.146682D+02  0.472907D+01  0.100096D+02  0.106182D+02
      6   0.179050D+02  0.772324D+00 -0.134866D+01  0.445583D+00 -0.734204D+00
               266           267           268           269           270 
      1   0.542012D+01  0.360551D+01 -0.338466D+01  0.137676D+01  0.182133D+01
      2  -0.591422D+01 -0.583178D+01  0.654064D+01 -0.209636D+01 -0.742195D+01
      3   0.494100D+00  0.222627D+01 -0.315598D+01  0.719600D+00  0.560062D+01
      4  -0.753241D+01 -0.336151D+00  0.319544D+01  0.672434D-02 -0.218574D+01
      5  -0.268305D+01 -0.723364D+01  0.736445D+01 -0.379552D+01 -0.811416D+01
      6   0.281748D+01  0.215409D+00 -0.499234D+00  0.138098D+01 -0.569580D+00
               271           272           273           274           275 
      1  -0.258769D+01  0.215720D+01 -0.675145D+01  0.596678D+00 -0.467789D+01
      2  -0.144279D+01 -0.113523D+01 -0.102917D+01  0.511882D+00  0.204500D+01
      3   0.403047D+01 -0.102197D+01  0.778062D+01 -0.110856D+01  0.263289D+01
      4  -0.595538D+01 -0.282835D+01  0.529931D+00  0.135873D+01  0.169093D+01
      5   0.235882D+01  0.232786D+01 -0.429754D+00  0.578590D+00 -0.855199D+00
      6   0.308109D-01  0.310154D+01 -0.555477D+01  0.730927D+00 -0.567156D+01
               276           277           278           279           280 
      1   0.595071D+01 -0.279118D+01  0.525528D+01 -0.172660D+02  0.651711D+01
      2  -0.857727D+00  0.136130D+01 -0.240769D+00 -0.110121D+02 -0.342642D+01
      3  -0.509298D+01  0.142988D+01 -0.501451D+01  0.282781D+02 -0.309068D+01
      4  -0.296911D+00 -0.269584D+01 -0.269449D+01 -0.668545D+00  0.524753D+01
      5   0.165871D+01  0.398100D+01  0.196432D+01 -0.107412D+02  0.808234D+01
      6   0.827259D+01 -0.372213D-01  0.699218D+01 -0.165928D+02  0.241475D+01
               281           282           283           284           285 
      1   0.417524D+01  0.670929D+01  0.782652D+01 -0.767228D+00 -0.221601D+01
      2  -0.170104D+01 -0.369821D+01 -0.397441D+01  0.390892D+01 -0.269871D+00
      3  -0.247420D+01 -0.301108D+01 -0.385211D+01 -0.314170D+01  0.248588D+01
      4   0.532003D+01  0.197188D+01  0.116865D+02  0.250204D+02  0.125817D+02
      5   0.266794D+01  0.508650D+01  0.619233D+01  0.133967D+02  0.143580D+02
      6   0.881777D+00  0.758836D+00  0.424599D+01  0.122194D+02  0.840728D+01
               286           287           288           289           290 
      1   0.781799D+01 -0.213508D+01 -0.111763D+01  0.644290D+02 -0.163476D+02
      2  -0.587514D+01 -0.897695D+00 -0.377908D+01 -0.352593D+02  0.792971D+01
      3  -0.194285D+01  0.303278D+01  0.489671D+01 -0.291697D+02  0.841788D+01
      4   0.348500D+01  0.882649D+01  0.924633D+01 -0.215973D+02  0.134220D+02
      5   0.855899D+01  0.971620D+01  0.137000D+02  0.272015D+02 -0.745001D+01
      6   0.217868D+01  0.752676D+01  0.713014D+01 -0.479019D+01  0.311433D+01
               291           292           293           294           295 
      1   0.166724D+02 -0.250744D+02  0.128134D+02 -0.670674D+01  0.150045D+02
      2  -0.107524D+02  0.123162D+02 -0.522222D+01  0.451950D+01 -0.116515D+02
      3  -0.592004D+01  0.127581D+02 -0.759118D+01  0.218724D+01 -0.335294D+01
      4  -0.642398D+01  0.205924D+02 -0.137105D+02  0.904144D+01 -0.603586D+01
      5   0.169078D+02 -0.121132D+02  0.100688D+02 -0.757851D+01  0.208930D+02
      6  -0.204560D+01  0.557493D+01 -0.354036D+01  0.443165D+01 -0.323266D+01
               296           297           298           299           300 
      1  -0.382622D+01  0.116463D+02  0.641610D+02  0.164708D+02 -0.165453D+02
      2   0.339356D+01 -0.957354D+01 -0.350034D+02 -0.794302D+01  0.106376D+02
      3   0.432659D+00 -0.207275D+01 -0.291577D+02 -0.852780D+01  0.590767D+01
      4   0.589710D+01 -0.570385D+01  0.218815D+02  0.135701D+02 -0.646504D+01
      5  -0.604794D+01  0.129549D+02 -0.269991D+02 -0.746870D+01  0.168003D+02
      6   0.379652D+01 -0.281615D+01 -0.483766D+01 -0.313683D+01  0.207873D+01
               301           302           303           304           305 
      1   0.251756D+02  0.129125D+02 -0.668188D+01 -0.148724D+02 -0.381492D+01
      2  -0.122871D+02 -0.519918D+01  0.447528D+01  0.115252D+02  0.337353D+01
      3  -0.128885D+02 -0.771331D+01  0.220660D+01  0.334718D+01  0.441389D+00
      4   0.208133D+02  0.139489D+02 -0.909150D+01 -0.608205D+01 -0.593446D+01
      5  -0.121135D+02 -0.101086D+02  0.760841D+01  0.207762D+02  0.609314D+01
      6  -0.561198D+01 -0.360267D+01  0.445194D+01  0.328381D+01  0.382315D+01
               306           307           308           309           310 
      1   0.115700D+02  0.663812D+01 -0.420191D+01 -0.671507D+01 -0.792511D+01
      2  -0.948083D+01 -0.348912D+01  0.172321D+01  0.371321D+01  0.404549D+01
      3  -0.208921D+01 -0.314900D+01  0.247870D+01  0.300186D+01  0.387962D+01
      4   0.577067D+01 -0.529867D+01  0.541966D+01  0.201141D+01  0.117834D+02
      5  -0.128462D+02 -0.813439D+01  0.272579D+01  0.516159D+01  0.626097D+01
      6  -0.285039D+01  0.240827D+01 -0.926847D+00 -0.792075D+00 -0.427770D+01
               311           312           313           314           315 
      1  -0.548505D+00 -0.209712D+01 -0.784533D+01 -0.205211D+01 -0.101884D+01
      2   0.371633D+01 -0.362556D+00  0.590416D+01 -0.959813D+00 -0.384339D+01
      3  -0.316783D+01  0.245967D+01  0.194117D+01  0.301192D+01  0.486223D+01
      4  -0.250181D+02 -0.125915D+02  0.349669D+01 -0.883366D+01 -0.924932D+01
      5  -0.134203D+02 -0.143834D+02  0.861452D+01 -0.972824D+01 -0.137248D+02
      6   0.121252D+02  0.833227D+01 -0.219651D+01  0.747542D+01  0.706743D+01
               316           317           318           319           320 
      1  -0.282637D+01 -0.107305D+01 -0.318286D+01 -0.391091D+01 -0.339915D+01
      2   0.230029D+00  0.171198D+01 -0.124671D+01  0.386854D+01  0.763072D+00
      3   0.259634D+01 -0.638930D+00  0.442957D+01  0.423710D-01  0.263608D+01
      4  -0.122266D+01 -0.590441D+00  0.256112D+00  0.606073D+00  0.816837D+00
      5   0.277257D+00  0.145967D+01  0.146061D+01  0.202872D+01 -0.140602D+01
      6   0.151833D+01  0.727982D+00 -0.185923D+01  0.437320D-01 -0.184656D+01
               321           322           323           324           325 
      1   0.105277D+01 -0.392389D+01  0.357045D+01 -0.198346D+02 -0.977284D+00
      2  -0.325578D+01  0.527853D+01  0.487969D+00 -0.153561D+02  0.455108D+01
      3   0.220301D+01 -0.135465D+01 -0.405842D+01  0.351906D+02 -0.357379D+01
      4  -0.213165D+01 -0.151066D+01 -0.335119D+01  0.240131D+01  0.259770D+01
      5  -0.187307D+01  0.639613D+01  0.344647D+01 -0.206236D+02  0.189771D+01
      6   0.425816D+01  0.122714D+01  0.518592D+01 -0.957178D+01  0.645930D+00
               326           327           328           329           330 
      1   0.271668D+00  0.150785D+01  0.531270D+01 -0.112868D+02  0.171540D+01
      2   0.229065D+01 -0.186882D+01 -0.135055D+01  0.204187D+02 -0.240664D+00
      3  -0.256232D+01  0.360965D+00 -0.396215D+01 -0.913188D+01 -0.147474D+01
      4   0.520332D+01  0.475468D+00  0.756639D+01  0.203093D+02 -0.374523D+01
      5  -0.184009D+00 -0.328451D+00 -0.441322D+01 -0.267533D+01  0.435653D+01
      6  -0.327426D+00  0.831717D-01 -0.320295D+01 -0.118886D+02  0.513021D+01
               331           332           333 
      1   0.539666D+01  0.207652D+01 -0.418820D+01
      2  -0.381745D+01  0.797962D+00  0.229315D+01
      3  -0.157921D+01 -0.287449D+01  0.189505D+01
      4   0.185290D+01  0.212854D+01  0.176729D+01
      5  -0.158906D+01  0.167343D+01  0.115755D+00
      6  -0.291969D+00  0.249023D+01 -0.179299D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 01:52:17 2021, MaxMem= 10737418240 cpu:          219003.1 elap:           13702.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -15.09010 -15.09009 -15.09008 -15.09006 -15.09002
 Alpha  occ. eigenvalues --  -15.08998 -10.88067 -10.88067 -10.88037 -10.88036
 Alpha  occ. eigenvalues --  -10.88023 -10.87992  -3.84531  -2.60674  -2.60669
 Alpha  occ. eigenvalues --   -2.60209  -1.50885  -1.49674  -1.49653  -1.46815
 Alpha  occ. eigenvalues --   -1.46795  -1.46702  -1.28909  -1.28624  -1.28610
 Alpha  occ. eigenvalues --   -1.16613  -1.16104  -1.16014  -1.08646  -1.08527
 Alpha  occ. eigenvalues --   -1.07666  -1.06368  -1.06329  -1.06177  -1.05214
 Alpha  occ. eigenvalues --   -1.04990  -1.04303  -0.98242  -0.98191  -0.97580
 Alpha  occ. eigenvalues --   -0.97037  -0.96795  -0.96609  -0.94625  -0.93342
 Alpha  occ. eigenvalues --   -0.93288  -0.89379  -0.89231  -0.88107  -0.88020
 Alpha  occ. eigenvalues --   -0.87949  -0.87062  -0.84805  -0.84680  -0.84549
 Alpha  occ. eigenvalues --   -0.83401  -0.83106  -0.83009
 Alpha virt. eigenvalues --   -0.38179  -0.38139  -0.35399  -0.34440  -0.32939
 Alpha virt. eigenvalues --   -0.32724  -0.30847  -0.30596  -0.30545  -0.29069
 Alpha virt. eigenvalues --   -0.28347  -0.27025  -0.26694  -0.26472  -0.26444
 Alpha virt. eigenvalues --   -0.25997  -0.25983  -0.24991  -0.24777  -0.24436
 Alpha virt. eigenvalues --   -0.24149  -0.23244  -0.22288  -0.22246  -0.21988
 Alpha virt. eigenvalues --   -0.21907  -0.21618  -0.21242  -0.20952  -0.20520
 Alpha virt. eigenvalues --   -0.20138  -0.19289  -0.18980  -0.18768  -0.18368
 Alpha virt. eigenvalues --   -0.18227  -0.18186  -0.17965  -0.17816  -0.17338
 Alpha virt. eigenvalues --   -0.16703  -0.16659  -0.16544  -0.16233  -0.16209
 Alpha virt. eigenvalues --   -0.15776  -0.15709  -0.15593  -0.15451  -0.14807
 Alpha virt. eigenvalues --   -0.14708  -0.14366  -0.14300  -0.13721  -0.13547
 Alpha virt. eigenvalues --   -0.13283  -0.13282  -0.13076  -0.12596  -0.12571
 Alpha virt. eigenvalues --   -0.11985  -0.11845  -0.11676  -0.11605  -0.11348
 Alpha virt. eigenvalues --   -0.10762  -0.10638  -0.10521  -0.10478  -0.10247
 Alpha virt. eigenvalues --   -0.09910  -0.09834  -0.09501  -0.09362  -0.09233
 Alpha virt. eigenvalues --   -0.08737  -0.08557  -0.08460  -0.08195  -0.07481
 Alpha virt. eigenvalues --   -0.07228  -0.07099  -0.06993  -0.06479  -0.06397
 Alpha virt. eigenvalues --   -0.06307  -0.05669  -0.05532  -0.05524  -0.05402
 Alpha virt. eigenvalues --   -0.05296  -0.04677  -0.04617  -0.03724  -0.03579
 Alpha virt. eigenvalues --   -0.02881  -0.02176  -0.02158  -0.01774  -0.01243
 Alpha virt. eigenvalues --   -0.01054  -0.00553  -0.00420  -0.00011   0.00415
 Alpha virt. eigenvalues --    0.00726   0.01042   0.01181   0.02068   0.02439
 Alpha virt. eigenvalues --    0.03000   0.03392   0.04339   0.04541   0.04675
 Alpha virt. eigenvalues --    0.05293   0.05505   0.06151   0.06296   0.06726
 Alpha virt. eigenvalues --    0.06993   0.07140   0.07521   0.07922   0.08080
 Alpha virt. eigenvalues --    0.08605   0.09066   0.09111   0.09431   0.09826
 Alpha virt. eigenvalues --    0.10066   0.10444   0.11048   0.11481   0.11808
 Alpha virt. eigenvalues --    0.12768   0.12850   0.13044   0.13477   0.13784
 Alpha virt. eigenvalues --    0.14083   0.14545   0.14997   0.15606   0.16251
 Alpha virt. eigenvalues --    0.16516   0.17111   0.17322   0.17375   0.17860
 Alpha virt. eigenvalues --    0.18000   0.18305   0.18368   0.18603   0.19223
 Alpha virt. eigenvalues --    0.19694   0.19851   0.20876   0.21100   0.21558
 Alpha virt. eigenvalues --    0.22134   0.22548   0.22754   0.22990   0.23967
 Alpha virt. eigenvalues --    0.24484   0.24782   0.25563   0.26413   0.26622
 Alpha virt. eigenvalues --    0.27838   0.27897   0.28373   0.28452   0.29108
 Alpha virt. eigenvalues --    0.29647   0.29728   0.29860   0.30281   0.30514
 Alpha virt. eigenvalues --    0.31253   0.31331   0.31670   0.32106   0.32481
 Alpha virt. eigenvalues --    0.32786   0.33014   0.33162   0.33456   0.34155
 Alpha virt. eigenvalues --    0.34699   0.34863   0.34924   0.35754   0.36068
 Alpha virt. eigenvalues --    0.36790   0.36886   0.37166   0.38501   0.38580
 Alpha virt. eigenvalues --    0.39059   0.39544   0.39967   0.40711   0.40777
 Alpha virt. eigenvalues --    0.41612   0.41646   0.41985   0.42298   0.42547
 Alpha virt. eigenvalues --    0.43090   0.43763   0.43893   0.45055   0.45354
 Alpha virt. eigenvalues --    0.45534   0.46853   0.47446   0.47767   0.48674
 Alpha virt. eigenvalues --    0.48751   0.49684   0.50005   0.50478   0.50812
 Alpha virt. eigenvalues --    0.51244   0.52417   0.52638   0.53593   0.53683
 Alpha virt. eigenvalues --    0.53995   0.54320   0.54652   0.55360   0.55678
 Alpha virt. eigenvalues --    0.57579   0.57627   0.57795   0.58187   0.58891
 Alpha virt. eigenvalues --    0.59896   0.59934   0.60994   0.61535   0.61635
 Alpha virt. eigenvalues --    0.63431   0.63828   0.64011   0.65140   0.65384
 Alpha virt. eigenvalues --    0.65579   0.67168   0.69588   0.69911   0.70676
 Alpha virt. eigenvalues --    0.71017   0.71309   0.71613   0.73075   0.73493
 Alpha virt. eigenvalues --    0.74373   0.75641   0.76072   0.76246   0.77536
 Alpha virt. eigenvalues --    0.77934   0.78992   0.79510   0.80215   0.82783
 Alpha virt. eigenvalues --    0.82902   0.85227   0.85892   0.86481   0.87662
 Alpha virt. eigenvalues --    0.88471   0.89305   0.89546   0.89996   0.91930
 Alpha virt. eigenvalues --    0.93555   0.94110   0.94820   0.96125   0.97622
 Alpha virt. eigenvalues --    0.98005   0.99853   1.01034   1.02980   1.03087
 Alpha virt. eigenvalues --    1.03516   1.05977   1.06284   1.08619   1.09390
 Alpha virt. eigenvalues --    1.12751   1.13483   1.14579   1.15426   1.15735
 Alpha virt. eigenvalues --    1.17772   1.18376   1.19628   1.22632   1.23689
 Alpha virt. eigenvalues --    1.23967   1.25673   1.25914   1.26222   1.28718
 Alpha virt. eigenvalues --    1.29035   1.30373   1.31396   1.32879   1.33859
 Alpha virt. eigenvalues --    1.34432   1.34920   1.34993   1.36414   1.38379
 Alpha virt. eigenvalues --    1.40828   1.41152   1.41798   1.42746   1.43712
 Alpha virt. eigenvalues --    1.43838   1.45379   1.45469   1.46266   1.46781
 Alpha virt. eigenvalues --    1.47090   1.47565   1.48151   1.48700   1.49195
 Alpha virt. eigenvalues --    1.50185   1.51441   1.52437   1.52693   1.53424
 Alpha virt. eigenvalues --    1.54363   1.55307   1.56234   1.56957   1.58682
 Alpha virt. eigenvalues --    1.59185   1.59878   1.59951   1.60664   1.60999
 Alpha virt. eigenvalues --    1.61556   1.63266   1.63641   1.64689   1.64787
 Alpha virt. eigenvalues --    1.65497   1.66453   1.66801   1.68470   1.68551
 Alpha virt. eigenvalues --    1.69113   1.69447   1.69751   1.73003   1.73335
 Alpha virt. eigenvalues --    1.74154   1.74350   1.75743   1.75905   1.76867
 Alpha virt. eigenvalues --    1.78587   1.79542   1.80101   1.80945   1.81902
 Alpha virt. eigenvalues --    1.83350   1.83947   1.84715   1.85321   1.85825
 Alpha virt. eigenvalues --    1.85980   1.87190   1.88430   1.88529   1.88996
 Alpha virt. eigenvalues --    1.89703   1.91462   1.92992   1.93325   1.94401
 Alpha virt. eigenvalues --    1.94657   1.95439   1.97245   1.97779   1.98501
 Alpha virt. eigenvalues --    2.00860   2.01211   2.03394   2.04610   2.04746
 Alpha virt. eigenvalues --    2.05120   2.05755   2.07898   2.08881   2.09496
 Alpha virt. eigenvalues --    2.10343   2.11011   2.13157   2.13671   2.15086
 Alpha virt. eigenvalues --    2.15117   2.16993   2.18510   2.20314   2.20701
 Alpha virt. eigenvalues --    2.20935   2.21063   2.22630   2.23696   2.24293
 Alpha virt. eigenvalues --    2.24668   2.24979   2.25513   2.25697   2.26410
 Alpha virt. eigenvalues --    2.28360   2.28995   2.29310   2.29395   2.30990
 Alpha virt. eigenvalues --    2.31639   2.32309   2.32520   2.33319   2.33885
 Alpha virt. eigenvalues --    2.33960   2.34193   2.35097   2.37301   2.37959
 Alpha virt. eigenvalues --    2.38083   2.38632   2.39130   2.40070   2.41600
 Alpha virt. eigenvalues --    2.43284   2.43422   2.47050   2.49382   2.49498
 Alpha virt. eigenvalues --    2.52418   2.54790   2.54978   2.55639   2.58752
 Alpha virt. eigenvalues --    2.60991   2.61760   2.63987   2.67697   2.67977
 Alpha virt. eigenvalues --    2.73448   2.73874   2.75672   2.75691   2.76372
 Alpha virt. eigenvalues --    2.79317   2.82101   2.84460   2.85881   2.87125
 Alpha virt. eigenvalues --    2.89722   2.93095   2.96545   2.97488   3.01023
 Alpha virt. eigenvalues --    3.02452   3.05104   3.05136   3.08071   3.09400
 Alpha virt. eigenvalues --    3.10607   3.18004   3.33693   3.35323   3.82461
 Alpha virt. eigenvalues --    5.79123   5.82323  45.27438
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.438979   0.205753   0.434528  -1.728677   0.030656   0.010940
     2  C    0.205753   5.436390   0.955855  -1.729263   0.002010  -0.035095
     3  N    0.434528   0.955855   9.997458  -6.611924   0.260277   0.045527
     4  Rh  -1.728677  -1.729263  -6.611924  55.939180  -5.131951  -0.921422
     5  N    0.030656   0.002010   0.260277  -5.131951   8.966407   0.878854
     6  C    0.010940  -0.035095   0.045527  -0.921422   0.878854   5.132993
     7  C   -0.005848   0.019173  -0.031248  -1.197427   0.147956   0.245158
     8  N    0.169407   0.113245   0.186559  -4.914867   0.446069   0.030929
     9  N    0.956034   0.433435   0.531844  -6.619129   0.435387   0.007718
    10  N    0.001160   0.031977   0.431344  -5.118575   0.525520   0.082579
    11  C   -0.035500   0.011244   0.007078  -0.923409   0.081908   0.036623
    12  C    0.019919  -0.006419   0.264437  -1.191743   0.039230  -0.059284
    13  N    0.114751   0.170374   0.756299  -4.917629   0.121553   0.006316
    14  H   -0.009979  -0.000448  -0.019984  -0.066902  -0.019833  -0.271671
    15  H    0.008111  -0.002597   0.003231   0.383147  -0.431855   0.066722
    16  H    0.005904  -0.004218  -0.027970  -0.156951   0.031532  -0.156299
    17  H   -0.009687   0.002599   0.009404   0.527114  -0.041960   0.083385
    18  H   -0.004296   0.006040   0.061746  -0.153947  -0.013048   0.002678
    19  H    0.002619  -0.009677  -0.043610   0.523595   0.013073   0.001741
    20  H   -0.000503  -0.009843  -0.052194  -0.072648   0.055478   0.026175
    21  H   -0.002551   0.008000   0.038296   0.387409  -0.022089  -0.011280
    22  H    0.005127  -0.001187   0.030962   0.040276  -0.039243   0.027727
    23  H   -0.007284   0.000980  -0.044353  -0.045346   0.052512   0.004450
    24  H    0.030370  -0.006152  -0.028309  -0.019492   0.000289  -0.003717
    25  H    0.025660   0.002891   0.031197  -0.100470   0.020560   0.012293
    26  H   -0.205930   0.026912  -0.069547  -0.056576  -0.037684   0.012839
    27  H    0.001031  -0.030200   0.009337   0.250071   0.041711   0.014528
    28  H   -0.006505   0.030398  -0.069151  -0.020760   0.024726   0.000344
    29  H    0.002769   0.025642   0.014140  -0.096120  -0.043260   0.018676
    30  H   -0.001150   0.005129   0.004911   0.039502   0.196318  -0.017263
    31  H    0.000551  -0.007261  -0.001555  -0.042762   0.330050  -0.140514
    32  H   -0.397463  -0.083721  -0.022846   0.154975  -0.037586  -0.001098
    33  H    0.230755  -0.101907  -0.011796   0.467439   0.022773   0.002376
    34  H   -0.101497   0.230377  -0.560962   0.467305   0.001340  -0.002332
    35  H   -0.085089  -0.394906  -0.064009   0.155140  -0.019722   0.001940
    36  H   -0.029914   0.001225  -0.060647   0.250454  -0.004207  -0.010096
    37  H    0.027067  -0.205170   0.320171  -0.059119   0.011737   0.007635
               7          8          9         10         11         12
     1  C   -0.005848   0.169407   0.956034   0.001160  -0.035500   0.019919
     2  C    0.019173   0.113245   0.433435   0.031977   0.011244  -0.006419
     3  N   -0.031248   0.186559   0.531844   0.431344   0.007078   0.264437
     4  Rh  -1.197427  -4.914867  -6.619129  -5.118575  -0.923409  -1.191743
     5  N    0.147956   0.446069   0.435387   0.525520   0.081908   0.039230
     6  C    0.245158   0.030929   0.007718   0.082579   0.036623  -0.059284
     7  C    5.204727   0.842627   0.265883   0.036846  -0.059270   0.015397
     8  N    0.842627   8.738121   0.757576   0.119058   0.004862  -0.001662
     9  N    0.265883   0.757576  10.001033   0.259812   0.044961  -0.030877
    10  N    0.036846   0.119058   0.259812   8.959782   0.881318   0.144919
    11  C   -0.059270   0.004862   0.044961   0.881318   5.131920   0.245798
    12  C    0.015397  -0.001662  -0.030877   0.144919   0.245798   5.203628
    13  N   -0.003285   0.145537   0.187646   0.445952   0.034942   0.837576
    14  H   -0.118820   0.080108  -0.052479   0.054041   0.025298  -0.008586
    15  H    0.051665  -0.043204   0.038502  -0.021601  -0.011148   0.003366
    16  H   -0.208747   0.107054   0.061778  -0.013454   0.002468  -0.000682
    17  H   -0.017691  -0.501281  -0.043898   0.013331   0.001875   0.000770
    18  H   -0.000852  -0.014088  -0.027919   0.031773  -0.154591  -0.210518
    19  H    0.000830   0.001574   0.009465  -0.041929   0.082711  -0.015693
    20  H   -0.009146  -0.024802  -0.020079  -0.016621  -0.270529  -0.119530
    21  H    0.003501   0.012979   0.003291  -0.433574   0.065360   0.051983
    22  H    0.002541  -0.033570   0.004940   0.196909  -0.017809   0.001523
    23  H    0.007984   0.005862  -0.001450   0.330817  -0.141165   0.018261
    24  H    0.003205   0.001685  -0.069143   0.024180   0.000030   0.016299
    25  H   -0.006619   0.004536   0.013699  -0.042233   0.019058  -0.132378
    26  H    0.020554   0.021884   0.316643   0.011837   0.007689  -0.000040
    27  H    0.000521  -0.000091  -0.061307  -0.004205  -0.010147   0.010630
    28  H    0.015924   0.248226  -0.028770   0.000481  -0.003697   0.003267
    29  H   -0.132340   0.350610   0.030846   0.020331   0.012202  -0.006620
    30  H    0.001201   0.010867   0.031153  -0.038579   0.028217   0.002347
    31  H    0.018335  -0.022832  -0.045746   0.052139   0.004326   0.008117
    32  H   -0.001087  -0.026619  -0.063779  -0.019905   0.001794  -0.006901
    33  H    0.000132   0.012503  -0.560682   0.001364  -0.002301   0.005637
    34  H    0.005580  -0.018320  -0.011589   0.022812   0.002457   0.000033
    35  H   -0.006640   0.060004  -0.023416  -0.037281  -0.001188  -0.001084
    36  H    0.010508  -0.045741   0.008842   0.041535   0.014498   0.000481
    37  H    0.000026   0.051843  -0.068997  -0.037878   0.012421   0.021093
              13         14         15         16         17         18
     1  C    0.114751  -0.009979   0.008111   0.005904  -0.009687  -0.004296
     2  C    0.170374  -0.000448  -0.002597  -0.004218   0.002599   0.006040
     3  N    0.756299  -0.019984   0.003231  -0.027970   0.009404   0.061746
     4  Rh  -4.917629  -0.066902   0.383147  -0.156951   0.527114  -0.153947
     5  N    0.121553  -0.019833  -0.431855   0.031532  -0.041960  -0.013048
     6  C    0.006316  -0.271671   0.066722  -0.156299   0.083385   0.002678
     7  C   -0.003285  -0.118820   0.051665  -0.208747  -0.017691  -0.000852
     8  N    0.145537   0.080108  -0.043204   0.107054  -0.501281  -0.014088
     9  N    0.187646  -0.052479   0.038502   0.061778  -0.043898  -0.027919
    10  N    0.445952   0.054041  -0.021601  -0.013454   0.013331   0.031773
    11  C    0.034942   0.025298  -0.011148   0.002468   0.001875  -0.154591
    12  C    0.837576  -0.008586   0.003366  -0.000682   0.000770  -0.210518
    13  N    8.738381  -0.024510   0.012901  -0.014029   0.001491   0.104709
    14  H   -0.024510   2.510726  -0.584218   0.198760  -0.161832   0.000122
    15  H    0.012901  -0.584218   1.875360  -0.150625   0.016781   0.000331
    16  H   -0.014029   0.198760  -0.150625   2.470539  -0.601775  -0.000572
    17  H    0.001491  -0.161832   0.016781  -0.601775   1.942621  -0.000257
    18  H    0.104709   0.000122   0.000331  -0.000572  -0.000257   2.468512
    19  H   -0.499973  -0.000728   0.000330  -0.000250   0.000148  -0.601078
    20  H    0.080194   0.007603  -0.001250   0.000097  -0.000758   0.198822
    21  H   -0.044084  -0.001311  -0.000817   0.000331   0.000339  -0.150814
    22  H    0.011432  -0.004412   0.001150  -0.001869  -0.003041  -0.005861
    23  H   -0.023001  -0.003583   0.000818  -0.003820   0.004510  -0.016785
    24  H    0.246474  -0.000918  -0.000328  -0.000820   0.000318  -0.121056
    25  H    0.353586  -0.003874   0.002783  -0.000343  -0.000382   0.049717
    26  H    0.052147  -0.002936   0.001176  -0.012812   0.002760  -0.000306
    27  H   -0.045759  -0.004386   0.003980  -0.003149   0.002202  -0.001520
    28  H    0.001684  -0.003568   0.005377  -0.120673   0.007270  -0.000823
    29  H    0.004477  -0.028374   0.004143   0.049462  -0.032784  -0.000328
    30  H   -0.033650  -0.124835   0.027684  -0.005841   0.008058  -0.001871
    31  H    0.005628   0.067221  -0.051793  -0.016866   0.001409  -0.003826
    32  H    0.060042  -0.000771   0.000425  -0.000202  -0.000769   0.000078
    33  H   -0.018439  -0.000532   0.000490  -0.005294   0.000580  -0.001650
    34  H    0.012262  -0.000443   0.000068  -0.001658  -0.000124  -0.005288
    35  H   -0.026549   0.000238   0.000173   0.000073   0.004811  -0.000186
    36  H    0.000082  -0.000274  -0.000429  -0.001522   0.000861  -0.003200
    37  H    0.022233   0.000874  -0.000349  -0.000305  -0.000294  -0.012657
              19         20         21         22         23         24
     1  C    0.002619  -0.000503  -0.002551   0.005127  -0.007284   0.030370
     2  C   -0.009677  -0.009843   0.008000  -0.001187   0.000980  -0.006152
     3  N   -0.043610  -0.052194   0.038296   0.030962  -0.044353  -0.028309
     4  Rh   0.523595  -0.072648   0.387409   0.040276  -0.045346  -0.019492
     5  N    0.013073   0.055478  -0.022089  -0.039243   0.052512   0.000289
     6  C    0.001741   0.026175  -0.011280   0.027727   0.004450  -0.003717
     7  C    0.000830  -0.009146   0.003501   0.002541   0.007984   0.003205
     8  N    0.001574  -0.024802   0.012979  -0.033570   0.005862   0.001685
     9  N    0.009465  -0.020079   0.003291   0.004940  -0.001450  -0.069143
    10  N   -0.041929  -0.016621  -0.433574   0.196909   0.330817   0.024180
    11  C    0.082711  -0.270529   0.065360  -0.017809  -0.141165   0.000030
    12  C   -0.015693  -0.119530   0.051983   0.001523   0.018261   0.016299
    13  N   -0.499973   0.080194  -0.044084   0.011432  -0.023001   0.246474
    14  H   -0.000728   0.007603  -0.001311  -0.004412  -0.003583  -0.000918
    15  H    0.000330  -0.001250  -0.000817   0.001150   0.000818  -0.000328
    16  H   -0.000250   0.000097   0.000331  -0.001869  -0.003820  -0.000820
    17  H    0.000148  -0.000758   0.000339  -0.003041   0.004510   0.000318
    18  H   -0.601078   0.198822  -0.150814  -0.005861  -0.016785  -0.121056
    19  H    1.942806  -0.162216   0.017229   0.008055   0.001411   0.007437
    20  H   -0.162216   2.511729  -0.585153  -0.124709   0.067169  -0.003614
    21  H    0.017229  -0.585153   1.876446   0.027529  -0.051546   0.005368
    22  H    0.008055  -0.124709   0.027529   1.079267  -0.227678  -0.001190
    23  H    0.001411   0.067169  -0.051546  -0.227678   0.922629   0.006010
    24  H    0.007437  -0.003614   0.005368  -0.001190   0.006010   1.096274
    25  H   -0.033411  -0.028228   0.004096   0.004068  -0.003691  -0.208963
    26  H   -0.000295   0.000886  -0.000349  -0.000267   0.000148   0.002203
    27  H    0.000868  -0.000287  -0.000429   0.000306   0.000729  -0.002136
    28  H    0.000315  -0.000954  -0.000315  -0.000683   0.001349   0.000396
    29  H   -0.000375  -0.003848   0.002762  -0.002976  -0.002540   0.000980
    30  H   -0.003045  -0.004249   0.001117   0.000181  -0.000343  -0.000700
    31  H    0.004543  -0.003680   0.000848  -0.000366   0.004308   0.001370
    32  H    0.004820   0.000240   0.000165  -0.000530  -0.001868  -0.003366
    33  H   -0.000124  -0.000446   0.000073   0.000356  -0.000287  -0.001197
    34  H    0.000577  -0.000529   0.000491   0.000266   0.003851   0.003447
    35  H   -0.000761  -0.000760   0.000409  -0.001031  -0.002093  -0.007280
    36  H    0.002182  -0.004394   0.003988  -0.001767   0.003905  -0.000807
    37  H    0.002722  -0.002962   0.001202   0.001241  -0.002558  -0.002097
              25         26         27         28         29         30
     1  C    0.025660  -0.205930   0.001031  -0.006505   0.002769  -0.001150
     2  C    0.002891   0.026912  -0.030200   0.030398   0.025642   0.005129
     3  N    0.031197  -0.069547   0.009337  -0.069151   0.014140   0.004911
     4  Rh  -0.100470  -0.056576   0.250071  -0.020760  -0.096120   0.039502
     5  N    0.020560  -0.037684   0.041711   0.024726  -0.043260   0.196318
     6  C    0.012293   0.012839   0.014528   0.000344   0.018676  -0.017263
     7  C   -0.006619   0.020554   0.000521   0.015924  -0.132340   0.001201
     8  N    0.004536   0.021884  -0.000091   0.248226   0.350610   0.010867
     9  N    0.013699   0.316643  -0.061307  -0.028770   0.030846   0.031153
    10  N   -0.042233   0.011837  -0.004205   0.000481   0.020331  -0.038579
    11  C    0.019058   0.007689  -0.010147  -0.003697   0.012202   0.028217
    12  C   -0.132378  -0.000040   0.010630   0.003267  -0.006620   0.002347
    13  N    0.353586   0.052147  -0.045759   0.001684   0.004477  -0.033650
    14  H   -0.003874  -0.002936  -0.004386  -0.003568  -0.028374  -0.124835
    15  H    0.002783   0.001176   0.003980   0.005377   0.004143   0.027684
    16  H   -0.000343  -0.012812  -0.003149  -0.120673   0.049462  -0.005841
    17  H   -0.000382   0.002760   0.002202   0.007270  -0.032784   0.008058
    18  H    0.049717  -0.000306  -0.001520  -0.000823  -0.000328  -0.001871
    19  H   -0.033411  -0.000295   0.000868   0.000315  -0.000375  -0.003045
    20  H   -0.028228   0.000886  -0.000287  -0.000954  -0.003848  -0.004249
    21  H    0.004096  -0.000349  -0.000429  -0.000315   0.002762   0.001117
    22  H    0.004068  -0.000267   0.000306  -0.000683  -0.002976   0.000181
    23  H   -0.003691   0.000148   0.000729   0.001349  -0.002540  -0.000343
    24  H   -0.208963   0.002203  -0.002136   0.000396   0.000980  -0.000700
    25  H    0.886500  -0.001869   0.003562   0.000980   0.000869  -0.002946
    26  H   -0.001869   0.985050  -0.197357  -0.002105  -0.000172   0.001228
    27  H    0.003562  -0.197357   1.018023  -0.000784   0.001767  -0.001798
    28  H    0.000980  -0.002105  -0.000784   1.095445  -0.209066  -0.001187
    29  H    0.000869  -0.000172   0.001767  -0.209066   0.887214   0.004063
    30  H   -0.002946   0.001228  -0.001798  -0.001187   0.004063   1.080185
    31  H   -0.002610  -0.002458   0.003931   0.005944  -0.003691  -0.227481
    32  H   -0.006478   0.082027  -0.130246  -0.007325  -0.001863  -0.001036
    33  H    0.004120  -0.061735   0.049569   0.003435   0.001494   0.000258
    34  H    0.001501   0.005083   0.001623  -0.001176   0.004116   0.000355
    35  H   -0.001874  -0.001506  -0.008549  -0.003328  -0.006389  -0.000530
    36  H    0.001789   0.001908  -0.000101  -0.002212   0.003603   0.000310
    37  H   -0.000137   0.000260   0.001924   0.002183  -0.001898  -0.000273
              31         32         33         34         35         36
     1  C    0.000551  -0.397463   0.230755  -0.101497  -0.085089  -0.029914
     2  C   -0.007261  -0.083721  -0.101907   0.230377  -0.394906   0.001225
     3  N   -0.001555  -0.022846  -0.011796  -0.560962  -0.064009  -0.060647
     4  Rh  -0.042762   0.154975   0.467439   0.467305   0.155140   0.250454
     5  N    0.330050  -0.037586   0.022773   0.001340  -0.019722  -0.004207
     6  C   -0.140514  -0.001098   0.002376  -0.002332   0.001940  -0.010096
     7  C    0.018335  -0.001087   0.000132   0.005580  -0.006640   0.010508
     8  N   -0.022832  -0.026619   0.012503  -0.018320   0.060004  -0.045741
     9  N   -0.045746  -0.063779  -0.560682  -0.011589  -0.023416   0.008842
    10  N    0.052139  -0.019905   0.001364   0.022812  -0.037281   0.041535
    11  C    0.004326   0.001794  -0.002301   0.002457  -0.001188   0.014498
    12  C    0.008117  -0.006901   0.005637   0.000033  -0.001084   0.000481
    13  N    0.005628   0.060042  -0.018439   0.012262  -0.026549   0.000082
    14  H    0.067221  -0.000771  -0.000532  -0.000443   0.000238  -0.000274
    15  H   -0.051793   0.000425   0.000490   0.000068   0.000173  -0.000429
    16  H   -0.016866  -0.000202  -0.005294  -0.001658   0.000073  -0.001522
    17  H    0.001409  -0.000769   0.000580  -0.000124   0.004811   0.000861
    18  H   -0.003826   0.000078  -0.001650  -0.005288  -0.000186  -0.003200
    19  H    0.004543   0.004820  -0.000124   0.000577  -0.000761   0.002182
    20  H   -0.003680   0.000240  -0.000446  -0.000529  -0.000760  -0.004394
    21  H    0.000848   0.000165   0.000073   0.000491   0.000409   0.003988
    22  H   -0.000366  -0.000530   0.000356   0.000266  -0.001031  -0.001767
    23  H    0.004308  -0.001868  -0.000287   0.003851  -0.002093   0.003905
    24  H    0.001370  -0.003366  -0.001197   0.003447  -0.007280  -0.000807
    25  H   -0.002610  -0.006478   0.004120   0.001501  -0.001874   0.001789
    26  H   -0.002458   0.082027  -0.061735   0.005083  -0.001506   0.001908
    27  H    0.003931  -0.130246   0.049569   0.001623  -0.008549  -0.000101
    28  H    0.005944  -0.007325   0.003435  -0.001176  -0.003328  -0.002212
    29  H   -0.003691  -0.001863   0.001494   0.004116  -0.006389   0.003603
    30  H   -0.227481  -0.001036   0.000258   0.000355  -0.000530   0.000310
    31  H    0.922224  -0.002124   0.003853  -0.000282  -0.001859   0.000725
    32  H   -0.002124   2.516157  -0.625889  -0.173138   0.213978  -0.008544
    33  H    0.003853  -0.625889   1.956018   0.008515  -0.172975   0.001635
    34  H   -0.000282  -0.173138   0.008515   1.955655  -0.625293   0.049859
    35  H   -0.001859   0.213978  -0.172975  -0.625293   2.514299  -0.130704
    36  H    0.000725  -0.008544   0.001635   0.049859  -0.130704   1.016727
    37  H    0.000149  -0.001540   0.005016  -0.062086   0.081922  -0.197323
              37
     1  C    0.027067
     2  C   -0.205170
     3  N    0.320171
     4  Rh  -0.059119
     5  N    0.011737
     6  C    0.007635
     7  C    0.000026
     8  N    0.051843
     9  N   -0.068997
    10  N   -0.037878
    11  C    0.012421
    12  C    0.021093
    13  N    0.022233
    14  H    0.000874
    15  H   -0.000349
    16  H   -0.000305
    17  H   -0.000294
    18  H   -0.012657
    19  H    0.002722
    20  H   -0.002962
    21  H    0.001202
    22  H    0.001241
    23  H   -0.002558
    24  H   -0.002097
    25  H   -0.000137
    26  H    0.000260
    27  H    0.001924
    28  H    0.002183
    29  H   -0.001898
    30  H   -0.000273
    31  H    0.000149
    32  H   -0.001540
    33  H    0.005016
    34  H   -0.062086
    35  H    0.081922
    36  H   -0.197323
    37  H    0.982824
 Mulliken charges:
               1
     1  C    0.909783
     2  C    0.908412
     3  N    0.325504
     4  Rh  -0.688498
     5  N    0.104512
     6  C    0.868926
     7  C    0.878746
     8  N    0.123349
     9  N    0.328776
    10  N    0.104021
    11  C    0.869696
    12  C    0.877309
    13  N    0.122240
    14  H   -0.424782
    15  H   -0.208499
    16  H   -0.417252
    17  H   -0.216103
    18  H   -0.417189
    19  H   -0.215886
    20  H   -0.424458
    21  H   -0.208898
    22  H    0.024335
    23  H    0.141692
    24  H    0.034951
    25  H    0.133042
    26  H    0.100709
    27  H    0.086137
    28  H    0.035339
    29  H    0.132476
    30  H    0.023693
    31  H    0.142037
    32  H   -0.408006
    33  H   -0.213139
    34  H   -0.212857
    35  H   -0.407984
    36  H    0.086766
    37  H    0.101101
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.288638
     2  C    0.287571
     3  N    0.513371
     4  Rh  -0.688498
     5  N    0.270242
     6  C    0.235645
     7  C    0.245391
     8  N    0.291164
     9  N    0.515622
    10  N    0.270047
    11  C    0.236340
    12  C    0.244234
    13  N    0.290233
 Electronic spatial extent (au):  <R**2>=           2779.7300
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0206    Y=             -0.0002    Z=              0.0000  Tot=              0.0206
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -29.9383   YY=            -30.4394   ZZ=            -53.4017
   XY=             -0.0011   XZ=             -0.0045   YZ=             -0.1379
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.9881   YY=              7.4871   ZZ=            -15.4753
   XY=             -0.0011   XZ=             -0.0045   YZ=             -0.1379
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -37.0437  YYY=              0.2125  ZZZ=              0.0428  XYY=             37.8898
  XXY=             -0.2109  XXZ=              0.0081  XZZ=             -0.6232  YZZ=             -0.0083
  YYZ=              0.0194  XYZ=             -0.8510
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -998.5864 YYYY=           -964.4238 ZZZZ=           -353.7520 XXXY=              0.0533
 XXXZ=              0.1804 YYYX=             -0.0434 YYYZ=             37.9522 ZZZX=             -0.0084
 ZZZY=             -4.7003 XXYY=           -329.8157 XXZZ=           -228.9070 YYZZ=           -230.7926
 XXYZ=            -36.1796 YYXZ=             -0.2341 ZZXY=             -0.0064
 N-N= 1.198321918231D+03 E-N=-3.903673644609D+03  KE= 6.066344771282D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 01:52:19 2021, MaxMem= 10737418240 cpu:              12.8 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 8.90860634D-03-8.00422508D-05 1.00325385D-04
 Polarizability= 1.50517013D+02-7.52488376D-04 1.49049515D+02
                -1.56818627D-03 5.98748852D-02 1.18804058D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0008    0.0008       -0.0008   -0.0007
 2     -0.0008   -0.0008       -0.0510   -0.0454       -0.7706   -0.7584
 3      0.0008    0.0007       15.9592   15.9820        0.0553    0.0454
 4      0.0510    0.0454       -0.0000    0.0000        0.0006    0.0007
 5    -15.1887  -15.2236       -0.0006   -0.0007        0.0008    0.0008
 6     -0.0553   -0.0454       -0.0008   -0.0008       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0023   -0.0023       -0.0021   -0.0021
 2      0.1363    0.1363        0.0000    0.0000       -0.0021   -0.0021
 3      0.1363    0.1363       -0.0023   -0.0023        0.0000    0.0000
 4     -0.0023   -0.0023       -0.1363   -0.1363       -2.2752   -2.2752
 5      0.0021    0.0021       47.9459   47.9459        0.1363    0.1363
 6    -45.6707  -45.6707       -0.0021   -0.0021        0.0023    0.0023
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1156    0.0000       -0.0057   -0.0031       -0.0207    0.0028
 2     -0.0045    0.0031        0.1690    0.1818        2.8772    3.0336
 3      0.0098   -0.0028      -64.0098  -63.9279        0.3793   -0.1818
 4     -0.1042   -0.1818        0.0127    0.0000        0.0056   -0.0028
 5     61.4882   60.8942       -0.0014    0.0028       -0.0087   -0.0031
 6      0.0943    0.1818        0.0085    0.0031        0.0007    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.8027    0.0000       -0.0330   -0.0208        0.1039    0.0728
 2      0.0484    0.0208       -3.6892   -3.1168       -7.2408   -7.4221
 3     -0.0537   -0.0728      -17.1071  -17.5537        3.5611    3.1168
 4      3.8966    3.1168        0.0259    0.0000       -0.0823   -0.0728
 5     25.2293   24.9758        0.0853    0.0728       -0.0525   -0.0208
 6     -3.1695   -3.1168        0.0137    0.0208       -0.0142    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     97.0144   96.9173        0.4518    0.4560       -0.0117    0.0113
 2    102.7093  102.3640        0.4473    0.4593       -0.0085    0.0113
 3    102.9292  102.3640        0.4559    0.4560       -0.0269    0.0117
 4      0.0019   -0.0033       -5.4270   -5.4467        3.7651    2.9802
 5      0.0067    0.0004      -30.5285  -31.2962        5.8760    5.4467
 6     28.7285   28.3160        0.0455   -0.0004       -0.0576    0.0033
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.7638  -13.0428   -5.2346   -0.0003    0.0004    0.0005
 Low frequencies ---   87.2320   90.4818  111.3947
 Diagonal vibrational polarizability:
       15.2900420      13.7720291      12.4000970
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     87.2132                90.4421               111.3698
 Red. masses --      3.0313                 2.9985                 2.8527
 Frc consts  --      0.0136                 0.0145                 0.0208
 IR Inten    --      0.0214                 0.0119                 0.1948
 RamAct Fr= 1--      0.9129                 0.9228                 0.0750
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1304                 0.1318                 0.0107
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0941                -0.3909                 0.0347
 Delta2 Fr= 1--     -0.0451                -0.0649                -0.0073
 Raman1 Fr= 1--       3.652                  3.691                  0.300
 ROA1   Fr= 1--     -10.475                -39.603                  3.099
 CID1   Fr= 1--      -2.868                -10.729                 10.324
 Raman2 Fr= 1--       1.565                  1.582                  0.129
 ROA2   Fr= 1--      -1.897                 -8.863                  0.892
 CID2   Fr= 1--      -1.212                 -5.603                  6.930
 Raman3 Fr= 1--       3.130                  3.164                  0.257
 ROA3   Fr= 1--     -10.475                -39.603                  3.099
 CID3   Fr= 1--      -3.347                -12.517                 12.045
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00    -0.04   0.20   0.08     0.06  -0.01  -0.09
     2   6    -0.04   0.03   0.00     0.04   0.20   0.08    -0.06  -0.01  -0.09
     3   7    -0.05   0.03   0.02    -0.03  -0.00  -0.04    -0.06   0.06   0.03
     4  45    -0.04  -0.00   0.00     0.00  -0.04  -0.01     0.00  -0.01   0.06
     5   7    -0.02  -0.05  -0.01     0.01  -0.02   0.03     0.02  -0.08   0.03
     6   6     0.11  -0.16   0.06    -0.08   0.04   0.00    -0.05   0.04  -0.10
     7   6     0.16  -0.05   0.05    -0.13  -0.01  -0.03    -0.07   0.00  -0.11
     8   7    -0.01   0.01  -0.03    -0.06  -0.04  -0.01     0.06   0.01   0.02
     9   7    -0.04  -0.03  -0.02     0.04  -0.00  -0.03     0.06   0.06   0.03
    10   7    -0.02   0.05   0.01    -0.01  -0.02   0.03    -0.02  -0.08   0.02
    11   6     0.11   0.16  -0.06     0.07   0.03   0.01     0.04   0.03  -0.10
    12   6     0.17   0.05  -0.05     0.11  -0.02  -0.03     0.07   0.00  -0.11
    13   7    -0.01  -0.02   0.03     0.06  -0.04  -0.01    -0.06   0.01   0.02
    14   1     0.04  -0.28   0.06    -0.07   0.10   0.03     0.01   0.16  -0.10
    15   1     0.21  -0.19   0.11    -0.11   0.05  -0.01    -0.13   0.01  -0.19
    16   1     0.24   0.07   0.03    -0.14  -0.07  -0.05    -0.14  -0.12  -0.12
    17   1     0.23  -0.11   0.09    -0.18   0.02  -0.05    -0.11   0.09  -0.21
    18   1     0.26  -0.07  -0.04     0.13  -0.07  -0.05     0.14  -0.12  -0.12
    19   1     0.24   0.12  -0.10     0.17   0.02  -0.04     0.10   0.09  -0.21
    20   1     0.05   0.28  -0.06     0.06   0.09   0.03    -0.01   0.15  -0.09
    21   1     0.22   0.19  -0.11     0.09   0.04  -0.00     0.12   0.01  -0.19
    22   1    -0.08   0.10   0.10    -0.05   0.00   0.08    -0.05  -0.08   0.13
    23   1    -0.03  -0.06  -0.04    -0.04  -0.07  -0.00    -0.04  -0.20  -0.03
    24   1    -0.00  -0.10   0.13     0.08  -0.07  -0.01    -0.08  -0.01   0.12
    25   1    -0.12   0.02  -0.03     0.05  -0.01  -0.02    -0.18   0.06  -0.04
    26   1    -0.04  -0.03  -0.06     0.17   0.03  -0.14     0.02   0.04   0.12
    27   1    -0.04  -0.07  -0.02    -0.01  -0.13  -0.03     0.11   0.15   0.03
    28   1    -0.01   0.09  -0.13    -0.08  -0.08   0.00     0.08  -0.01   0.12
    29   1    -0.12  -0.02   0.03    -0.04  -0.01  -0.02     0.18   0.06  -0.04
    30   1    -0.08  -0.10  -0.09     0.06   0.01   0.09     0.05  -0.08   0.13
    31   1    -0.03   0.05   0.04     0.04  -0.07  -0.01     0.05  -0.20  -0.03
    32   1    -0.05  -0.03   0.03    -0.23   0.20   0.09     0.15  -0.01  -0.10
    33   1    -0.04  -0.02  -0.02     0.02   0.34   0.14     0.06  -0.05  -0.16
    34   1    -0.05   0.04   0.02    -0.02   0.34   0.14    -0.06  -0.05  -0.16
    35   1    -0.04   0.04  -0.02     0.23   0.20   0.09    -0.15  -0.01  -0.10
    36   1    -0.04   0.06   0.02     0.01  -0.13  -0.03    -0.11   0.15   0.03
    37   1    -0.05   0.03   0.05    -0.16   0.03  -0.15    -0.02   0.04   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    142.4225               143.9151               160.6105
 Red. masses --      2.9021                 2.9067                 2.7002
 Frc consts  --      0.0347                 0.0355                 0.0410
 IR Inten    --      0.3605                 0.6318                 0.0271
 RamAct Fr= 1--      0.1827                 0.3076                 1.5943
  Dep-P Fr= 1--      0.7500                 0.7270                 0.7360
  Dep-U Fr= 1--      0.8571                 0.8419                 0.8479
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0004
 Beta2  Fr= 1--      0.0261                 0.0432                 0.2253
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0097
 Gamma2 Fr= 1--      1.1977                 1.5036                -3.1390
 Delta2 Fr= 1--      0.1435                 0.2182                -0.6602
 Raman1 Fr= 1--       0.731                  1.230                  6.377
 ROA1   Fr= 1--     119.567                151.327               -322.468
 CID1   Fr= 1--     163.645                122.999                -50.566
 Raman2 Fr= 1--       0.313                  0.518                  2.704
 ROA2   Fr= 1--      27.596                 34.341                -70.053
 CID2   Fr= 1--      88.131                 66.306                -25.911
 Raman3 Fr= 1--       0.626                  1.036                  5.407
 ROA3   Fr= 1--     119.567                151.327               -322.468
 CID3   Fr= 1--     190.923                146.092                -59.636
 RC180  Fr= 1--       0.714                  0.684                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.08     0.03  -0.11  -0.02    -0.03   0.09   0.01
     2   6    -0.02   0.04  -0.09     0.03   0.11   0.01    -0.03  -0.09  -0.01
     3   7    -0.05   0.01  -0.04     0.02   0.13   0.09    -0.00  -0.09  -0.07
     4  45    -0.00  -0.02  -0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   7    -0.10   0.06  -0.06     0.06   0.03   0.07     0.09  -0.04   0.08
     6   6    -0.06   0.04  -0.05    -0.01   0.03   0.12     0.04  -0.02   0.08
     7   6     0.01  -0.02   0.13    -0.06   0.02   0.03    -0.03   0.02  -0.08
     8   7     0.07  -0.09   0.09    -0.08   0.01  -0.01    -0.08   0.05  -0.07
     9   7     0.05   0.03  -0.03     0.02  -0.13  -0.09    -0.00   0.09   0.07
    10   7     0.09   0.06  -0.05     0.07  -0.02  -0.07     0.09   0.04  -0.08
    11   6     0.06   0.04  -0.04    -0.00  -0.02  -0.13     0.04   0.02  -0.08
    12   6    -0.01  -0.02   0.13    -0.06  -0.02  -0.02    -0.03  -0.02   0.08
    13   7    -0.06  -0.09   0.09    -0.09  -0.02   0.02    -0.08  -0.05   0.07
    14   1     0.05   0.02  -0.17    -0.07   0.02   0.18    -0.05   0.00   0.18
    15   1    -0.16   0.10  -0.08     0.05   0.03   0.17     0.13  -0.06   0.11
    16   1    -0.05   0.06   0.24    -0.02  -0.01  -0.02     0.03  -0.05  -0.18
    17   1     0.09  -0.09   0.18    -0.12   0.03   0.05    -0.11   0.07  -0.11
    18   1     0.06   0.06   0.24    -0.02   0.01   0.04     0.03   0.05   0.18
    19   1    -0.07  -0.09   0.18    -0.13  -0.04  -0.03    -0.11  -0.07   0.10
    20   1    -0.04   0.03  -0.15    -0.07  -0.02  -0.20    -0.05  -0.00  -0.19
    21   1     0.15   0.10  -0.06     0.06  -0.02  -0.18     0.13   0.06  -0.11
    22   1     0.10   0.11  -0.16     0.09  -0.04  -0.11     0.11   0.07  -0.17
    23   1     0.18   0.10  -0.00     0.12  -0.03  -0.05     0.18   0.07  -0.03
    24   1    -0.08  -0.11   0.19    -0.13   0.01   0.10    -0.11  -0.05   0.17
    25   1    -0.12  -0.17   0.05    -0.15  -0.05  -0.02    -0.14  -0.11   0.03
    26   1     0.07   0.03  -0.01    -0.00  -0.12  -0.23     0.03   0.08   0.14
    27   1     0.08   0.04  -0.03     0.05  -0.27  -0.08    -0.01   0.16   0.06
    28   1     0.10  -0.11   0.20    -0.12  -0.02  -0.08    -0.11   0.05  -0.17
    29   1     0.14  -0.17   0.04    -0.14   0.03   0.03    -0.15   0.11  -0.03
    30   1    -0.11   0.10  -0.17     0.08   0.05   0.10     0.10  -0.07   0.17
    31   1    -0.19   0.09  -0.01     0.10   0.04   0.05     0.18  -0.07   0.03
    32   1     0.01   0.06  -0.10     0.06  -0.18   0.12    -0.07   0.16  -0.11
    33   1     0.05   0.08  -0.10     0.02  -0.18  -0.11    -0.01   0.17   0.09
    34   1    -0.05   0.06  -0.11     0.02   0.18   0.10    -0.01  -0.17  -0.09
    35   1    -0.02   0.04  -0.09     0.05   0.19  -0.13    -0.07  -0.16   0.11
    36   1    -0.09   0.01  -0.03     0.04   0.27   0.07    -0.01  -0.16  -0.06
    37   1    -0.07   0.01  -0.04    -0.01   0.12   0.23     0.03  -0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.1110               214.6581               218.6226
 Red. masses --      2.7389                 2.7547                 2.9959
 Frc consts  --      0.0740                 0.0748                 0.0844
 IR Inten    --      6.3106                 6.0446                13.5935
 RamAct Fr= 1--      2.6865                 2.3868                 0.0267
  Dep-P Fr= 1--      0.7454                 0.7500                 0.7491
  Dep-U Fr= 1--      0.8542                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3824                 0.3410                 0.0038
 AlphaG Fr= 1--     -0.0016                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.1299                -1.3779                -0.0699
 Delta2 Fr= 1--     -0.0463                 0.0658                -0.0145
 Raman1 Fr= 1--      10.746                  9.547                  0.107
 ROA1   Fr= 1--    -109.949               -130.170                 -7.175
 CID1   Fr= 1--     -10.232                -13.634                -67.210
 Raman2 Fr= 1--       4.589                  4.092                  0.046
 ROA2   Fr= 1--     -26.747                -33.595                 -1.562
 CID2   Fr= 1--      -5.828                 -8.211                -34.164
 Raman3 Fr= 1--       9.179                  8.183                  0.091
 ROA3   Fr= 1--    -109.949               -130.170                 -7.175
 CID3   Fr= 1--     -11.979                -15.907                -78.464
 RC180  Fr= 1--       0.708                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.00     0.05   0.02  -0.02     0.00   0.03  -0.04
     2   6    -0.08   0.03   0.00    -0.05   0.02  -0.02    -0.00   0.03  -0.04
     3   7    -0.07   0.03  -0.01    -0.02   0.14   0.10    -0.07  -0.09  -0.04
     4  45    -0.01   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.07
     5   7     0.10  -0.11   0.07    -0.07  -0.02  -0.05    -0.13  -0.01  -0.03
     6   6     0.01  -0.02  -0.01    -0.05  -0.08   0.03    -0.01  -0.07  -0.04
     7   6    -0.03  -0.08  -0.02    -0.05  -0.05   0.00     0.05   0.03  -0.04
     8   7     0.09  -0.08   0.08    -0.11  -0.02  -0.03    -0.06   0.10  -0.03
     9   7    -0.07  -0.04   0.00     0.01   0.14   0.10     0.07  -0.09  -0.04
    10   7     0.09   0.11  -0.06     0.07  -0.01  -0.05     0.13  -0.01  -0.03
    11   6     0.01   0.03   0.00     0.05  -0.08   0.03     0.01  -0.06  -0.04
    12   6    -0.03   0.08   0.02     0.05  -0.04   0.00    -0.05   0.03  -0.04
    13   7     0.08   0.08  -0.08     0.12  -0.02  -0.03     0.06   0.10  -0.03
    14   1     0.06   0.09   0.00    -0.11  -0.16   0.06    -0.04  -0.13  -0.05
    15   1    -0.06  -0.02  -0.06     0.03  -0.08   0.10     0.04  -0.11  -0.05
    16   1    -0.09  -0.20  -0.03    -0.00  -0.02  -0.02     0.09   0.10  -0.04
    17   1    -0.07   0.01  -0.10    -0.04  -0.06   0.02     0.12   0.00  -0.04
    18   1    -0.09   0.20   0.03    -0.00  -0.00  -0.02    -0.09   0.10  -0.04
    19   1    -0.07  -0.00   0.10     0.03  -0.06   0.02    -0.12   0.00  -0.04
    20   1     0.05  -0.07  -0.01     0.11  -0.16   0.06     0.04  -0.13  -0.05
    21   1    -0.05   0.03   0.05    -0.03  -0.08   0.10    -0.04  -0.11  -0.05
    22   1     0.12   0.15  -0.23     0.09   0.01  -0.13     0.17  -0.01  -0.16
    23   1     0.20   0.21   0.02     0.11   0.07  -0.01     0.23   0.05   0.03
    24   1     0.13   0.08  -0.22     0.15  -0.01  -0.13     0.09   0.15  -0.17
    25   1     0.22   0.10   0.00     0.21   0.01   0.02     0.17   0.17   0.04
    26   1    -0.08  -0.04  -0.01    -0.02   0.11   0.29     0.11  -0.06  -0.18
    27   1    -0.07  -0.04   0.00     0.01   0.32   0.08     0.12  -0.22  -0.02
    28   1     0.14  -0.08   0.23    -0.14  -0.02  -0.12    -0.09   0.15  -0.16
    29   1     0.23  -0.10  -0.00    -0.19   0.01   0.02    -0.17   0.16   0.04
    30   1     0.13  -0.15   0.24    -0.08  -0.00  -0.12    -0.17  -0.01  -0.16
    31   1     0.21  -0.22  -0.02    -0.10   0.05  -0.01    -0.23   0.05   0.03
    32   1    -0.07  -0.06   0.04     0.19   0.02  -0.02    -0.09   0.03  -0.03
    33   1    -0.08  -0.05  -0.04     0.02  -0.06  -0.08     0.06   0.11  -0.04
    34   1    -0.07   0.05   0.04    -0.03  -0.05  -0.08    -0.06   0.11  -0.04
    35   1    -0.05   0.06  -0.04    -0.19   0.02  -0.02     0.09   0.03  -0.03
    36   1    -0.06   0.02  -0.01    -0.02   0.32   0.08    -0.12  -0.22  -0.02
    37   1    -0.08   0.03  -0.01     0.01   0.11   0.29    -0.11  -0.06  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.0949               293.8793               305.0080
 Red. masses --      4.5464                 2.0369                 1.9489
 Frc consts  --      0.1649                 0.1036                 0.1068
 IR Inten    --      0.0102                 1.9235                 1.2407
 RamAct Fr= 1--     16.2426                 1.6283                 0.5655
  Dep-P Fr= 1--      0.0838                 0.5885                 0.6977
  Dep-U Fr= 1--      0.1547                 0.7410                 0.8220
 Alpha2 Fr= 1--      0.2958                 0.0049                 0.0005
 Beta2  Fr= 1--      0.4187                 0.2011                 0.0775
 AlphaG Fr= 1--      0.2869                -0.0185                 0.0021
 Gamma2 Fr= 1--      7.6575                -0.5498                -0.7346
 Delta2 Fr= 1--      0.2548                -0.2227                -0.0357
 Raman1 Fr= 1--      64.971                  6.513                  2.262
 ROA1   Fr= 1--     743.274                -59.913                -71.659
 CID1   Fr= 1--      11.440                 -9.199                -31.680
 Raman2 Fr= 1--       5.025                  2.413                  0.930
 ROA2   Fr= 1--     181.742                -11.414                -17.344
 CID2   Fr= 1--      36.170                 -4.730                -18.657
 Raman3 Fr= 1--      10.049                  4.826                  1.859
 ROA3   Fr= 1--     743.274                -59.913                -71.659
 CID3   Fr= 1--      73.962                -12.414                -38.542
 RC180  Fr= 1--      -0.691                  0.482                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17   0.00  -0.00    -0.09   0.11   0.01    -0.01   0.00  -0.01
     2   6     0.17  -0.00   0.00    -0.09  -0.11  -0.01     0.03  -0.00  -0.01
     3   7     0.13  -0.05   0.02     0.02   0.08   0.03     0.03  -0.01  -0.03
     4  45     0.00   0.00  -0.00     0.04   0.00   0.00    -0.00   0.04   0.00
     5   7    -0.05  -0.11  -0.05     0.00  -0.01  -0.04    -0.03   0.01  -0.03
     6   6    -0.08  -0.17   0.02    -0.02  -0.02  -0.01    -0.01  -0.07   0.06
     7   6    -0.10  -0.15  -0.03    -0.02  -0.04   0.02    -0.06  -0.04  -0.05
     8   7    -0.08  -0.09   0.05    -0.03  -0.04   0.00     0.05  -0.01   0.06
     9   7     0.13   0.06  -0.02     0.02  -0.08  -0.04    -0.02  -0.01  -0.04
    10   7    -0.06   0.11   0.05     0.00   0.01   0.04     0.04   0.03  -0.04
    11   6    -0.08   0.17  -0.02    -0.02   0.02   0.01     0.01  -0.08   0.08
    12   6    -0.10   0.15   0.03    -0.02   0.04  -0.02     0.07  -0.05  -0.07
    13   7    -0.08   0.09  -0.05    -0.03   0.04  -0.00    -0.06  -0.01   0.07
    14   1    -0.14  -0.22   0.06    -0.01  -0.03  -0.03    -0.13  -0.15   0.15
    15   1    -0.01  -0.15   0.09    -0.04   0.01   0.01     0.12  -0.08   0.16
    16   1    -0.10  -0.22  -0.06    -0.02  -0.02   0.04    -0.08  -0.21  -0.12
    17   1    -0.11  -0.09  -0.10    -0.01  -0.06   0.03    -0.14   0.08  -0.16
    18   1    -0.10   0.22   0.06    -0.02   0.02  -0.04     0.10  -0.26  -0.18
    19   1    -0.11   0.08   0.10    -0.00   0.06  -0.03     0.18   0.11  -0.21
    20   1    -0.14   0.22  -0.06    -0.01   0.03   0.03     0.17  -0.19   0.19
    21   1    -0.01   0.15  -0.09    -0.04  -0.01  -0.00    -0.18  -0.10   0.21
    22   1    -0.06   0.12   0.06     0.02  -0.02   0.07     0.08   0.03  -0.16
    23   1    -0.04   0.07   0.05    -0.02  -0.00   0.03     0.09   0.16   0.03
    24   1    -0.09   0.09  -0.03    -0.06   0.06   0.06    -0.10  -0.03   0.23
    25   1    -0.07   0.04  -0.05    -0.07   0.02  -0.03    -0.23  -0.01  -0.03
    26   1     0.10   0.05   0.00     0.12  -0.04  -0.21    -0.03  -0.00  -0.09
    27   1     0.12   0.08  -0.03     0.01  -0.25  -0.02    -0.00  -0.06  -0.03
    28   1    -0.09  -0.10   0.03    -0.06  -0.06  -0.06     0.08  -0.02   0.19
    29   1    -0.07  -0.04   0.05    -0.07  -0.02   0.03     0.18  -0.02  -0.01
    30   1    -0.06  -0.12  -0.06     0.01   0.02  -0.07    -0.06   0.00  -0.10
    31   1    -0.04  -0.07  -0.05    -0.02   0.00  -0.03    -0.05   0.10   0.01
    32   1     0.21   0.00  -0.00    -0.33   0.20  -0.14    -0.04   0.01  -0.02
    33   1     0.14  -0.05   0.01     0.00   0.34   0.15    -0.02   0.01   0.02
    34   1     0.14   0.05  -0.01     0.00  -0.34  -0.15     0.03   0.01   0.01
    35   1     0.21  -0.00   0.00    -0.33  -0.20   0.14     0.05   0.00  -0.02
    36   1     0.12  -0.07   0.03     0.01   0.25   0.02     0.01  -0.06  -0.03
    37   1     0.11  -0.05   0.00     0.12   0.04   0.21     0.04  -0.01  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.3508               325.1912               332.0835
 Red. masses --      1.8025                 3.6329                 2.9190
 Frc consts  --      0.0990                 0.2263                 0.1897
 IR Inten    --      0.7339                 7.9894                 7.1555
 RamAct Fr= 1--      1.5838                 2.7465                 2.1618
  Dep-P Fr= 1--      0.1090                 0.7500                 0.7500
  Dep-U Fr= 1--      0.1965                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0271                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0519                 0.3924                 0.3088
 AlphaG Fr= 1--      0.1079                -0.0000                 0.0001
 Gamma2 Fr= 1--      0.0525                -0.9673                -2.8320
 Delta2 Fr= 1--     -0.1562                -0.0701                 0.0174
 Raman1 Fr= 1--       6.335                 10.986                  8.647
 ROA1   Fr= 1--       0.038                -95.104               -271.320
 CID1   Fr= 1--       0.006                 -8.657                -31.376
 Raman2 Fr= 1--       0.622                  4.708                  3.706
 ROA2   Fr= 1--       2.509                -22.654                -68.108
 CID2   Fr= 1--       4.030                 -4.811                -18.378
 Raman3 Fr= 1--       1.245                  9.417                  7.412
 ROA3   Fr= 1--       0.038                -95.104               -271.320
 CID3   Fr= 1--       0.030                -10.100                -36.606
 RC180  Fr= 1--      -0.607                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.00    -0.04  -0.01   0.00    -0.07  -0.08  -0.00
     2   6     0.04  -0.02   0.00     0.04  -0.02   0.00    -0.07   0.08   0.00
     3   7     0.03  -0.01   0.03     0.06   0.01  -0.06    -0.10  -0.02  -0.08
     4  45    -0.02  -0.00  -0.00    -0.00   0.10   0.00     0.09   0.00  -0.00
     5   7     0.03  -0.07   0.05    -0.01  -0.14  -0.00     0.01  -0.02  -0.05
     6   6    -0.02   0.05  -0.08    -0.08  -0.07  -0.07    -0.02  -0.02  -0.04
     7   6     0.05   0.02   0.09    -0.02  -0.08   0.07    -0.01  -0.05   0.03
     8   7    -0.06   0.00  -0.02    -0.08  -0.03   0.06    -0.08  -0.05  -0.03
     9   7     0.04   0.01  -0.02    -0.06   0.01  -0.06    -0.10   0.02   0.08
    10   7     0.02   0.07  -0.04     0.01  -0.14  -0.00     0.01   0.02   0.05
    11   6    -0.02  -0.03   0.06     0.08  -0.07  -0.07    -0.02   0.02   0.04
    12   6     0.03  -0.01  -0.07     0.02  -0.08   0.07    -0.01   0.05  -0.03
    13   7    -0.05   0.00   0.01     0.08  -0.03   0.06    -0.08   0.05   0.03
    14   1     0.15   0.17  -0.19     0.03  -0.01  -0.14     0.03  -0.01  -0.09
    15   1    -0.21   0.07  -0.20    -0.20  -0.04  -0.12    -0.09   0.03  -0.04
    16   1     0.06   0.21   0.19    -0.04   0.02   0.15     0.01   0.04   0.07
    17   1     0.17  -0.12   0.20     0.10  -0.14   0.08     0.03  -0.11   0.09
    18   1     0.04  -0.15  -0.15     0.04   0.02   0.15     0.01  -0.04  -0.07
    19   1     0.13   0.10  -0.15    -0.10  -0.15   0.08     0.03   0.11  -0.09
    20   1     0.11  -0.13   0.14    -0.03  -0.01  -0.14     0.03   0.01   0.08
    21   1    -0.17  -0.04   0.15     0.20  -0.04  -0.12    -0.08  -0.03   0.04
    22   1     0.05   0.11  -0.20    -0.02  -0.20   0.21     0.03  -0.01   0.08
    23   1     0.12   0.19   0.05    -0.12  -0.27  -0.11    -0.04   0.03   0.03
    24   1    -0.07  -0.02   0.10     0.09  -0.01  -0.01    -0.15   0.08   0.22
    25   1    -0.14   0.01  -0.05     0.14  -0.06   0.09    -0.24  -0.02  -0.07
    26   1     0.05   0.02  -0.04    -0.10   0.02  -0.18    -0.17  -0.01   0.25
    27   1     0.04  -0.01  -0.01    -0.04  -0.10  -0.05    -0.12   0.21   0.05
    28   1    -0.09   0.03  -0.15    -0.09  -0.01  -0.01    -0.15  -0.08  -0.22
    29   1    -0.20  -0.01   0.05    -0.14  -0.06   0.09    -0.24   0.01   0.07
    30   1     0.07  -0.11   0.24     0.02  -0.20   0.21     0.03   0.01  -0.07
    31   1     0.14  -0.22  -0.05     0.12  -0.27  -0.11    -0.04  -0.04  -0.03
    32   1     0.04   0.02  -0.02    -0.04  -0.02   0.01     0.07  -0.14   0.10
    33   1     0.04   0.02   0.02    -0.06  -0.03   0.04    -0.10  -0.20  -0.13
    34   1     0.04  -0.02  -0.03     0.06  -0.03   0.04    -0.10   0.20   0.13
    35   1     0.03  -0.03   0.02     0.04  -0.02   0.01     0.07   0.14  -0.10
    36   1     0.04   0.03   0.02     0.04  -0.10  -0.05    -0.12  -0.21  -0.05
    37   1     0.04  -0.02   0.07     0.10   0.02  -0.18    -0.17   0.01  -0.25
                     16                     17                     18
                      A                      A                      A
 Frequencies --    398.9203               403.0894               405.1945
 Red. masses --      4.0067                 4.1140                 4.8997
 Frc consts  --      0.3757                 0.3938                 0.4740
 IR Inten    --      1.0691                 0.8622                 3.4158
 RamAct Fr= 1--      0.8231                 3.5986                 4.4580
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7489
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8564
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.1176                 0.5141                 0.6363
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0028
 Gamma2 Fr= 1--     -0.3097                 0.4877                -2.4871
 Delta2 Fr= 1--     -0.0637                 0.0240                -0.0969
 Raman1 Fr= 1--       3.292                 14.394                 17.832
 ROA1   Fr= 1--     -31.769                 47.587               -241.859
 CID1   Fr= 1--      -9.649                  3.306                -13.563
 Raman2 Fr= 1--       1.411                  6.169                  7.636
 ROA2   Fr= 1--      -6.923                 11.512                -58.915
 CID2   Fr= 1--      -4.906                  1.866                 -7.716
 Raman3 Fr= 1--       2.822                 12.338                 15.271
 ROA3   Fr= 1--     -31.769                 47.587               -241.859
 CID3   Fr= 1--     -11.257                  3.857                -15.837
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.02    -0.13   0.01  -0.09    -0.03   0.01  -0.00
     2   6     0.02   0.00  -0.02     0.13   0.01  -0.09    -0.02  -0.01  -0.00
     3   7     0.04   0.03  -0.02     0.21   0.11  -0.11    -0.02  -0.00   0.02
     4  45    -0.00   0.02   0.09    -0.00  -0.07   0.04     0.08  -0.00   0.00
     5   7     0.10   0.09  -0.09    -0.01  -0.01   0.02    -0.15  -0.12   0.14
     6   6     0.10   0.04  -0.04    -0.01   0.00  -0.01    -0.10  -0.07   0.03
     7   6     0.00  -0.12  -0.03     0.01   0.03   0.01    -0.00   0.11   0.02
     8   7    -0.04  -0.15  -0.09    -0.01   0.06   0.04     0.03   0.16   0.11
     9   7    -0.04   0.03  -0.02    -0.20   0.11  -0.11    -0.03   0.01  -0.03
    10   7    -0.10   0.09  -0.09     0.01  -0.02   0.02    -0.15   0.12  -0.14
    11   6    -0.09   0.04  -0.04     0.01  -0.00  -0.00    -0.10   0.07  -0.03
    12   6    -0.00  -0.12  -0.03    -0.01   0.03   0.01    -0.00  -0.11  -0.02
    13   7     0.04  -0.14  -0.08     0.01   0.07   0.05     0.03  -0.16  -0.11
    14   1     0.15   0.05  -0.08     0.00   0.02  -0.01    -0.13  -0.06   0.07
    15   1     0.01   0.16   0.01    -0.02  -0.01  -0.02    -0.03  -0.21  -0.05
    16   1     0.02  -0.17  -0.08     0.01   0.03   0.01    -0.03   0.12   0.05
    17   1    -0.14  -0.10   0.02     0.05   0.03  -0.02     0.13   0.12  -0.06
    18   1    -0.02  -0.16  -0.08    -0.01   0.04   0.01    -0.03  -0.13  -0.05
    19   1     0.14  -0.10   0.02    -0.05   0.04  -0.02     0.13  -0.12   0.06
    20   1    -0.14   0.05  -0.08     0.00   0.02  -0.01    -0.14   0.06  -0.07
    21   1    -0.01   0.15   0.01     0.02  -0.01  -0.02    -0.03   0.21   0.05
    22   1    -0.08   0.13  -0.24    -0.01   0.05  -0.07    -0.15   0.12  -0.15
    23   1     0.03   0.16  -0.00     0.10  -0.01   0.07    -0.18   0.18  -0.13
    24   1     0.10  -0.16  -0.26     0.01   0.09  -0.01     0.01  -0.12  -0.10
    25   1     0.18  -0.05   0.01     0.03   0.13   0.07     0.05  -0.22  -0.11
    26   1    -0.09   0.04  -0.15    -0.22   0.08   0.09    -0.05   0.01  -0.05
    27   1     0.03  -0.08  -0.00    -0.24   0.29  -0.13    -0.07  -0.01  -0.03
    28   1    -0.10  -0.17  -0.27    -0.01   0.09  -0.01     0.01   0.12   0.09
    29   1    -0.18  -0.06   0.01    -0.04   0.12   0.07     0.05   0.23   0.12
    30   1     0.08   0.13  -0.24     0.01   0.06  -0.08    -0.15  -0.11   0.14
    31   1    -0.03   0.16  -0.01    -0.10  -0.00   0.06    -0.19  -0.18   0.13
    32   1     0.00   0.00  -0.01    -0.17   0.05  -0.16    -0.04   0.01  -0.01
    33   1    -0.04  -0.02   0.01    -0.22  -0.00   0.10    -0.04   0.01   0.02
    34   1     0.04  -0.02   0.01     0.22   0.00   0.11    -0.02  -0.01  -0.02
    35   1     0.00   0.00  -0.01     0.17   0.05  -0.16    -0.03  -0.01  -0.00
    36   1    -0.02  -0.08  -0.00     0.24   0.29  -0.14    -0.06   0.02   0.03
    37   1     0.09   0.04  -0.15     0.22   0.08   0.08    -0.04  -0.01   0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.7618               464.1151               501.6388
 Red. masses --      3.8961                 4.1288                 4.1520
 Frc consts  --      0.4873                 0.5240                 0.6156
 IR Inten    --      6.4781                 8.0974                 0.0324
 RamAct Fr= 1--      4.1306                 4.1758                44.7448
  Dep-P Fr= 1--      0.7497                 0.7499                 0.0016
  Dep-U Fr= 1--      0.8570                 0.8571                 0.0031
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.9907
 Beta2  Fr= 1--      0.5900                 0.5965                 0.0234
 AlphaG Fr= 1--      0.0025                -0.0000                 0.4590
 Gamma2 Fr= 1--      0.5607                 0.7425                 0.0554
 Delta2 Fr= 1--      0.1913                 0.0495                 0.0636
 Raman1 Fr= 1--      16.522                 16.703                178.979
 ROA1   Fr= 1--      59.951                 72.864                  7.355
 CID1   Fr= 1--       3.628                  4.362                  0.041
 Raman2 Fr= 1--       7.080                  7.158                  0.281
 ROA2   Fr= 1--      11.927                 17.424                  0.821
 CID2   Fr= 1--       1.685                  2.434                  2.923
 Raman3 Fr= 1--      14.159                 14.316                  0.561
 ROA3   Fr= 1--      59.951                 72.864                  7.355
 CID3   Fr= 1--       4.234                  5.090                 13.100
 RC180  Fr= 1--       0.714                  0.714                 -0.994
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.01    -0.02  -0.00  -0.01    -0.01  -0.02   0.01
     2   6    -0.03   0.03  -0.01     0.02  -0.00  -0.01    -0.01   0.02  -0.01
     3   7     0.09   0.14  -0.20     0.04   0.03  -0.02     0.08   0.11  -0.14
     4  45    -0.03   0.00  -0.00    -0.00   0.03   0.01     0.00  -0.00   0.00
     5   7     0.06  -0.01  -0.09    -0.16  -0.02   0.19    -0.12  -0.03   0.15
     6   6    -0.04  -0.03  -0.01     0.00   0.01   0.03    -0.01   0.01   0.02
     7   6    -0.00   0.02   0.02     0.01   0.04  -0.03     0.00   0.02  -0.01
     8   7    -0.04   0.11   0.10     0.06  -0.12  -0.18     0.04  -0.13  -0.16
     9   7     0.10  -0.14   0.20    -0.04   0.03  -0.02     0.08  -0.11   0.14
    10   7     0.05   0.01   0.09     0.16  -0.02   0.19    -0.12   0.03  -0.15
    11   6    -0.04   0.03   0.01    -0.01   0.01   0.03    -0.01  -0.01  -0.02
    12   6    -0.00  -0.03  -0.02    -0.01   0.04  -0.03     0.00  -0.02   0.01
    13   7    -0.03  -0.11  -0.10    -0.06  -0.12  -0.18     0.04   0.13   0.16
    14   1    -0.08  -0.07   0.01    -0.01   0.04   0.05    -0.00   0.03   0.04
    15   1     0.01   0.01   0.07     0.02  -0.12  -0.08    -0.00  -0.09  -0.07
    16   1    -0.02   0.06   0.06     0.04   0.08  -0.03     0.03   0.08  -0.00
    17   1     0.10   0.03  -0.03    -0.07  -0.04   0.10    -0.05  -0.06   0.11
    18   1    -0.02  -0.06  -0.06    -0.04   0.08  -0.03     0.03  -0.08   0.00
    19   1     0.10  -0.02   0.03     0.07  -0.04   0.10    -0.05   0.06  -0.11
    20   1    -0.08   0.07  -0.01     0.00   0.04   0.05    -0.00  -0.04  -0.04
    21   1     0.01  -0.01  -0.07    -0.02  -0.11  -0.08    -0.00   0.09   0.07
    22   1     0.10  -0.00  -0.01     0.23  -0.08   0.13    -0.15   0.03  -0.06
    23   1     0.16   0.03   0.15     0.21  -0.02   0.21    -0.18   0.01  -0.18
    24   1    -0.00  -0.16  -0.14    -0.06  -0.20  -0.07     0.07   0.17   0.03
    25   1    -0.00  -0.08  -0.08    -0.12  -0.21  -0.23     0.11   0.20   0.22
    26   1     0.15  -0.15   0.32    -0.06   0.03  -0.03     0.10  -0.11   0.19
    27   1     0.17  -0.01   0.19    -0.03   0.02  -0.02     0.11  -0.03   0.14
    28   1    -0.00   0.16   0.14     0.06  -0.20  -0.07     0.07  -0.17  -0.03
    29   1    -0.00   0.08   0.08     0.12  -0.21  -0.23     0.11  -0.20  -0.22
    30   1     0.10   0.01   0.01    -0.23  -0.08   0.13    -0.15  -0.03   0.06
    31   1     0.16  -0.03  -0.15    -0.21  -0.02   0.21    -0.18  -0.01   0.18
    32   1    -0.06  -0.04   0.03    -0.01   0.01  -0.02    -0.06  -0.02   0.01
    33   1     0.09   0.07  -0.10    -0.04  -0.01   0.02     0.08   0.07  -0.06
    34   1     0.09  -0.07   0.10     0.04  -0.01   0.02     0.08  -0.07   0.06
    35   1    -0.06   0.04  -0.03     0.01   0.01  -0.02    -0.06   0.02  -0.01
    36   1     0.17   0.01  -0.19     0.03   0.02  -0.02     0.11   0.03  -0.13
    37   1     0.15   0.15  -0.32     0.06   0.03  -0.03     0.10   0.11  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.8886               543.5647               554.4367
 Red. masses --      1.6846                 1.7181                 1.7983
 Frc consts  --      0.2861                 0.2991                 0.3257
 IR Inten    --      2.7066                 2.4561                 1.6797
 RamAct Fr= 1--      0.6889                 0.1980                 0.0885
  Dep-P Fr= 1--      0.2088                 0.7496                 0.7497
  Dep-U Fr= 1--      0.3455                 0.8569                 0.8569
 Alpha2 Fr= 1--      0.0091                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0397                 0.0283                 0.0126
 AlphaG Fr= 1--     -0.0158                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.7364                -0.6145                 0.1844
 Delta2 Fr= 1--      0.3890                -0.1554                 0.1016
 Raman1 Fr= 1--       2.755                  0.792                  0.354
 ROA1   Fr= 1--      83.145                -63.968                 20.958
 CID1   Fr= 1--      30.175                -80.784                 59.222
 Raman2 Fr= 1--       0.476                  0.339                  0.152
 ROA2   Fr= 1--      14.562                -13.505                  3.613
 CID2   Fr= 1--      30.592                -39.808                 23.829
 Raman3 Fr= 1--       0.952                  0.679                  0.303
 ROA3   Fr= 1--      83.145                -63.968                 20.958
 CID3   Fr= 1--      87.339                -94.277                 69.110
 RC180  Fr= 1--      -0.309                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.08   0.01   0.09    -0.01  -0.00  -0.01
     2   6     0.00   0.00  -0.00    -0.08   0.01   0.08     0.01  -0.00  -0.01
     3   7     0.02   0.02  -0.03     0.00   0.08  -0.08    -0.01  -0.02   0.02
     4  45    -0.01   0.00  -0.00     0.00  -0.02  -0.00    -0.00   0.01  -0.03
     5   7    -0.03   0.02   0.07    -0.01  -0.01   0.02    -0.04   0.01   0.08
     6   6     0.08   0.03  -0.02     0.00   0.00  -0.00     0.08   0.02  -0.02
     7   6     0.02  -0.08  -0.02     0.00  -0.00  -0.00     0.02  -0.09  -0.01
     8   7    -0.03   0.02   0.07     0.01   0.02   0.02    -0.03   0.02   0.07
     9   7     0.02  -0.02   0.03    -0.00   0.08  -0.08     0.01  -0.02   0.01
    10   7    -0.03  -0.02  -0.07     0.01  -0.01   0.03     0.04   0.01   0.08
    11   6     0.08  -0.03   0.02    -0.01   0.00  -0.00    -0.08   0.02  -0.02
    12   6     0.02   0.08   0.02    -0.00  -0.00  -0.00    -0.02  -0.09  -0.01
    13   7    -0.03  -0.02  -0.07    -0.01   0.02   0.02     0.03   0.02   0.07
    14   1     0.24   0.13  -0.14     0.04   0.03  -0.02     0.26   0.13  -0.14
    15   1    -0.13   0.07  -0.14    -0.03  -0.00  -0.03    -0.15   0.06  -0.16
    16   1     0.01  -0.28  -0.13    -0.01  -0.04  -0.02     0.02  -0.29  -0.13
    17   1    -0.13   0.08  -0.14    -0.01   0.03  -0.04    -0.13   0.08  -0.14
    18   1     0.01   0.28   0.13     0.01  -0.04  -0.02    -0.02  -0.29  -0.13
    19   1    -0.12  -0.08   0.14     0.01   0.03  -0.04     0.13   0.08  -0.14
    20   1     0.24  -0.12   0.14    -0.04   0.03  -0.02    -0.26   0.13  -0.15
    21   1    -0.12  -0.07   0.14     0.03  -0.00  -0.03     0.15   0.06  -0.16
    22   1    -0.10  -0.01   0.10     0.01   0.05  -0.10     0.10   0.00  -0.10
    23   1    -0.17  -0.08  -0.15     0.12   0.02   0.09     0.17   0.08   0.16
    24   1    -0.07  -0.07   0.15     0.01   0.01  -0.03     0.04   0.09  -0.06
    25   1    -0.18  -0.14  -0.18     0.03   0.05   0.05     0.12   0.06   0.13
    26   1     0.00  -0.01  -0.02    -0.02   0.11  -0.31     0.03  -0.04   0.13
    27   1     0.05  -0.05   0.04    -0.06  -0.17  -0.06    -0.03   0.09  -0.00
    28   1    -0.07   0.07  -0.15    -0.01   0.01  -0.03    -0.04   0.09  -0.06
    29   1    -0.18   0.14   0.18    -0.02   0.05   0.05    -0.12   0.05   0.13
    30   1    -0.10   0.01  -0.10    -0.01   0.05  -0.10    -0.10   0.00  -0.10
    31   1    -0.17   0.08   0.15    -0.12   0.02   0.08    -0.17   0.07   0.16
    32   1    -0.00  -0.00   0.00     0.33  -0.10   0.27    -0.06   0.02  -0.04
    33   1     0.02   0.01  -0.01    -0.01  -0.26  -0.13     0.02   0.06   0.02
    34   1     0.02  -0.01   0.01     0.01  -0.26  -0.13    -0.02   0.06   0.02
    35   1    -0.00   0.00  -0.00    -0.33  -0.11   0.27     0.06   0.02  -0.04
    36   1     0.05   0.05  -0.04     0.06  -0.17  -0.06     0.03   0.09  -0.00
    37   1     0.00   0.01   0.02     0.02   0.11  -0.31    -0.03  -0.04   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    683.7310               691.0945               713.7975
 Red. masses --      1.2952                 1.2974                 1.3007
 Frc consts  --      0.3567                 0.3651                 0.3905
 IR Inten    --      2.5754                 0.0341                 0.5316
 RamAct Fr= 1--      0.5562                 1.5279                 0.7417
  Dep-P Fr= 1--      0.7499                 0.0571                 0.6143
  Dep-U Fr= 1--      0.8571                 0.1080                 0.7611
 Alpha2 Fr= 1--      0.0000                 0.0297                 0.0018
 Beta2  Fr= 1--      0.0795                 0.0275                 0.0941
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.1008
 Gamma2 Fr= 1--      3.9784                 3.1478                -4.3134
 Delta2 Fr= 1--     -0.0799                -0.1466                 0.3283
 Raman1 Fr= 1--       2.225                  6.112                  2.967
 ROA1   Fr= 1--     379.368                297.500               -403.584
 CID1   Fr= 1--     170.517                 48.679               -136.034
 Raman2 Fr= 1--       0.953                  0.330                  1.129
 ROA2   Fr= 1--      96.121                 76.720               -106.149
 CID2   Fr= 1--     100.818                232.385                -94.019
 Raman3 Fr= 1--       1.907                  0.660                  2.258
 ROA3   Fr= 1--     379.368                297.500               -403.584
 CID3   Fr= 1--     198.952                450.561               -178.732
 RC180  Fr= 1--       0.714                 -0.784                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.02   0.00   0.01    -0.00   0.01   0.01
     2   6    -0.01  -0.00   0.01    -0.02  -0.00  -0.01    -0.00  -0.01  -0.01
     3   7    -0.01  -0.01  -0.02    -0.01  -0.05  -0.07    -0.01  -0.04  -0.04
     4  45    -0.00   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.05  -0.03   0.01    -0.03   0.02  -0.01     0.05  -0.04   0.02
     6   6     0.00  -0.02  -0.01    -0.01   0.00  -0.01    -0.00  -0.02  -0.00
     7   6    -0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.02  -0.00   0.00
     8   7    -0.07   0.02  -0.03     0.04  -0.02   0.01    -0.05   0.02  -0.01
     9   7     0.01  -0.01  -0.02    -0.01   0.05   0.07    -0.01   0.04   0.04
    10   7    -0.05  -0.03   0.01    -0.03  -0.02   0.01     0.05   0.04  -0.02
    11   6    -0.00  -0.02  -0.01    -0.01  -0.00   0.01    -0.00   0.02   0.00
    12   6     0.01  -0.00  -0.00     0.01  -0.01   0.01    -0.02   0.00  -0.00
    13   7     0.07   0.02  -0.03     0.04   0.02  -0.01    -0.05  -0.02   0.01
    14   1     0.05   0.05  -0.01    -0.08  -0.06   0.03     0.05   0.06  -0.02
    15   1    -0.05   0.01  -0.02     0.08  -0.02   0.04    -0.08   0.01  -0.04
    16   1     0.03   0.12   0.02    -0.02  -0.01   0.01     0.01   0.09   0.03
    17   1     0.06  -0.08   0.06    -0.00   0.01  -0.01     0.05  -0.06   0.03
    18   1    -0.03   0.12   0.02    -0.02   0.01  -0.01     0.01  -0.09  -0.03
    19   1    -0.06  -0.08   0.06    -0.00  -0.01   0.01     0.05   0.06  -0.04
    20   1    -0.05   0.05  -0.01    -0.08   0.06  -0.03     0.05  -0.06   0.02
    21   1     0.05   0.01  -0.02     0.08   0.02  -0.04    -0.08  -0.01   0.04
    22   1    -0.05   0.09  -0.27    -0.03   0.07  -0.18     0.07  -0.12   0.29
    23   1     0.21   0.04   0.15     0.14   0.04   0.12    -0.22  -0.06  -0.17
    24   1    -0.10   0.13   0.34    -0.04   0.08   0.18     0.05  -0.09  -0.23
    25   1    -0.19  -0.21  -0.21    -0.08  -0.12  -0.10     0.13   0.13   0.14
    26   1     0.04  -0.03   0.10    -0.09   0.10  -0.35    -0.05   0.07  -0.24
    27   1    -0.07   0.09  -0.04     0.17  -0.33   0.13     0.10  -0.24   0.09
    28   1     0.10   0.14   0.34    -0.04  -0.07  -0.18     0.05   0.09   0.23
    29   1     0.19  -0.21  -0.22    -0.08   0.12   0.10     0.13  -0.13  -0.14
    30   1     0.05   0.09  -0.27    -0.03  -0.07   0.18     0.07   0.12  -0.28
    31   1    -0.21   0.04   0.15     0.14  -0.04  -0.11    -0.22   0.06   0.17
    32   1    -0.01  -0.01   0.03     0.11  -0.02   0.03     0.09  -0.01   0.03
    33   1     0.02   0.00   0.00    -0.03  -0.08  -0.07    -0.03  -0.06  -0.04
    34   1    -0.02   0.00   0.00    -0.04   0.08   0.07    -0.03   0.06   0.04
    35   1     0.01  -0.01   0.03     0.11   0.02  -0.03     0.09   0.01  -0.03
    36   1     0.07   0.08  -0.04     0.17   0.34  -0.14     0.10   0.25  -0.09
    37   1    -0.03  -0.03   0.10    -0.09  -0.10   0.35    -0.05  -0.07   0.25
                     28                     29                     30
                      A                      A                      A
 Frequencies --    720.9487               754.9434               772.1579
 Red. masses --      1.4475                 1.4147                 1.4460
 Frc consts  --      0.4433                 0.4750                 0.5080
 IR Inten    --      7.3762                 8.1455                17.6844
 RamAct Fr= 1--      0.0382                 0.8873                 0.6664
  Dep-P Fr= 1--      0.7496                 0.7500                 0.7495
  Dep-U Fr= 1--      0.8569                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0055                 0.1268                 0.0952
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0004
 Gamma2 Fr= 1--     -0.2502                 2.5999                -2.1155
 Delta2 Fr= 1--     -0.0115                 0.0819                 0.0422
 Raman1 Fr= 1--       0.153                  3.549                  2.666
 ROA1   Fr= 1--     -24.383                252.213               -201.737
 CID1   Fr= 1--    -159.580                 71.059                -75.685
 Raman2 Fr= 1--       0.065                  1.521                  1.142
 ROA2   Fr= 1--      -5.912                 61.744                -51.109
 CID2   Fr= 1--     -90.311                 40.590                -44.756
 Raman3 Fr= 1--       0.131                  3.042                  2.284
 ROA3   Fr= 1--     -24.383                252.213               -201.737
 CID3   Fr= 1--    -186.236                 82.903                -88.330
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.01     0.02   0.01   0.04     0.01   0.00  -0.00
     2   6    -0.02   0.02   0.01    -0.02   0.01   0.04     0.01  -0.00   0.00
     3   7     0.01  -0.01  -0.04    -0.03  -0.05  -0.08     0.00   0.01   0.00
     4  45     0.00  -0.01   0.01    -0.00   0.01   0.01    -0.02  -0.00  -0.00
     5   7    -0.05   0.07  -0.02     0.01   0.00  -0.00     0.06  -0.04   0.01
     6   6     0.04   0.01  -0.01    -0.02  -0.00  -0.01    -0.03   0.00  -0.01
     7   6     0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
     8   7    -0.06   0.01  -0.01     0.04  -0.03   0.00     0.07  -0.03   0.02
     9   7    -0.01  -0.01  -0.04     0.03  -0.05  -0.08     0.00  -0.01  -0.00
    10   7     0.05   0.07  -0.02    -0.01   0.00  -0.00     0.06   0.04  -0.01
    11   6    -0.04   0.01  -0.01     0.02  -0.00  -0.01    -0.03  -0.00   0.01
    12   6    -0.02  -0.03  -0.01     0.00   0.01  -0.01    -0.01  -0.04   0.01
    13   7     0.06   0.01  -0.01    -0.04  -0.03   0.00     0.07   0.03  -0.02
    14   1     0.06  -0.06  -0.06    -0.09  -0.03   0.04    -0.13   0.03   0.10
    15   1     0.01   0.04   0.01     0.06  -0.02   0.03     0.06  -0.05   0.01
    16   1     0.07  -0.07  -0.07    -0.04   0.03   0.04    -0.09   0.09   0.10
    17   1    -0.05  -0.00  -0.01     0.03  -0.01   0.00     0.07  -0.01   0.01
    18   1    -0.06  -0.07  -0.07     0.04   0.03   0.04    -0.09  -0.09  -0.10
    19   1     0.05  -0.00  -0.01    -0.03  -0.01   0.00     0.07   0.01  -0.01
    20   1    -0.06  -0.06  -0.06     0.09  -0.03   0.04    -0.13  -0.03  -0.10
    21   1    -0.01   0.04   0.01    -0.06  -0.02   0.03     0.06   0.05  -0.01
    22   1     0.11  -0.17   0.34    -0.03   0.03  -0.02     0.10  -0.14   0.28
    23   1    -0.27  -0.03  -0.20     0.04  -0.03   0.01    -0.23  -0.01  -0.16
    24   1    -0.07   0.15   0.22     0.04  -0.08  -0.17    -0.08   0.17   0.30
    25   1    -0.10  -0.16  -0.12     0.08   0.11   0.10    -0.14  -0.21  -0.18
    26   1     0.07  -0.02   0.09     0.13  -0.10   0.35     0.00  -0.01   0.04
    27   1    -0.08   0.09  -0.06    -0.24   0.35  -0.16    -0.02   0.04  -0.01
    28   1     0.07   0.15   0.22    -0.04  -0.08  -0.17    -0.08  -0.17  -0.30
    29   1     0.10  -0.16  -0.12    -0.08   0.11   0.10    -0.14   0.21   0.18
    30   1    -0.11  -0.17   0.34     0.03   0.03  -0.02     0.10   0.14  -0.28
    31   1     0.27  -0.03  -0.20    -0.04  -0.03   0.01    -0.23   0.01   0.16
    32   1     0.08  -0.03   0.11     0.01  -0.05   0.16    -0.01   0.00  -0.01
    33   1    -0.01  -0.07  -0.07     0.04  -0.01  -0.05     0.01   0.01   0.01
    34   1     0.01  -0.07  -0.07    -0.04  -0.01  -0.05     0.01  -0.01  -0.01
    35   1    -0.08  -0.03   0.11    -0.01  -0.05   0.16    -0.01  -0.00   0.01
    36   1     0.08   0.09  -0.06     0.24   0.35  -0.16    -0.02  -0.04   0.01
    37   1    -0.07  -0.02   0.09    -0.13  -0.10   0.35     0.00   0.01  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2216               866.9085               867.4157
 Red. masses --      3.1238                 3.1664                 2.7772
 Frc consts  --      1.3810                 1.4020                 1.2312
 IR Inten    --     10.8397                 8.7066                 2.8453
 RamAct Fr= 1--      0.4003                 1.6261                 5.3937
  Dep-P Fr= 1--      0.7500                 0.7463                 0.1575
  Dep-U Fr= 1--      0.8571                 0.8547                 0.2721
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0818
 Beta2  Fr= 1--      0.0572                 0.2316                 0.2446
 AlphaG Fr= 1--      0.0000                 0.0013                -0.0472
 Gamma2 Fr= 1--      0.8139                 0.5694                 2.0419
 Delta2 Fr= 1--      0.7583                 0.3245                -0.0240
 Raman1 Fr= 1--       1.601                  6.504                 21.575
 ROA1   Fr= 1--     102.399                 65.042                195.254
 CID1   Fr= 1--      63.959                 10.000                  9.050
 Raman2 Fr= 1--       0.686                  2.780                  2.935
 ROA2   Fr= 1--      13.468                 11.068                 49.198
 CID2   Fr= 1--      19.628                  3.982                 16.761
 Raman3 Fr= 1--       1.372                  5.559                  5.871
 ROA3   Fr= 1--     102.399                 65.042                195.254
 CID3   Fr= 1--      74.620                 11.700                 33.260
 RC180  Fr= 1--       0.714                  0.709                 -0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.02     0.15   0.02   0.12    -0.04  -0.01  -0.03
     2   6    -0.01   0.04  -0.02     0.15  -0.02  -0.12    -0.04   0.01   0.03
     3   7     0.04  -0.03   0.01    -0.11   0.06  -0.06     0.03  -0.01   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.11  -0.07    -0.03  -0.09  -0.07     0.00   0.02   0.03
     6   6     0.15   0.06  -0.00     0.10   0.05   0.02     0.10   0.02  -0.10
     7   6    -0.03   0.16   0.03    -0.02   0.11   0.04    -0.00   0.09  -0.09
     8   7    -0.06  -0.06   0.05    -0.03  -0.03   0.02    -0.11  -0.10   0.10
     9   7    -0.03  -0.03   0.01    -0.11  -0.05   0.06     0.03   0.01  -0.02
    10   7     0.03  -0.12  -0.08    -0.02   0.08   0.06     0.00  -0.02  -0.04
    11   6    -0.16   0.06  -0.00     0.09  -0.04  -0.02     0.10  -0.02   0.10
    12   6     0.03   0.17   0.04    -0.02  -0.09  -0.04    -0.00  -0.09   0.09
    13   7     0.06  -0.06   0.05    -0.02   0.02  -0.01    -0.11   0.10  -0.10
    14   1     0.08  -0.03   0.02     0.09  -0.02  -0.01    -0.15  -0.07   0.11
    15   1     0.25  -0.09  -0.07     0.13  -0.03  -0.04     0.43  -0.16  -0.05
    16   1    -0.05  -0.02  -0.05    -0.02  -0.07  -0.06    -0.07   0.23   0.07
    17   1    -0.28   0.24   0.07    -0.24   0.20   0.05     0.09  -0.06   0.05
    18   1     0.06  -0.02  -0.05    -0.02   0.06   0.05    -0.07  -0.23  -0.07
    19   1     0.29   0.25   0.07    -0.22  -0.18  -0.04     0.09   0.07  -0.05
    20   1    -0.08  -0.03   0.02     0.09   0.02   0.01    -0.15   0.07  -0.11
    21   1    -0.26  -0.09  -0.08     0.10   0.02   0.03     0.43   0.16   0.05
    22   1     0.10  -0.18  -0.15    -0.05   0.11   0.08    -0.09   0.10  -0.03
    23   1     0.07  -0.07  -0.04    -0.03   0.05   0.05    -0.04   0.03  -0.04
    24   1     0.11  -0.19   0.09    -0.05   0.10  -0.04    -0.07   0.07  -0.21
    25   1     0.03  -0.09   0.04    -0.01   0.06  -0.00     0.01   0.03  -0.05
    26   1     0.02  -0.03   0.05    -0.10  -0.04  -0.02     0.03   0.00   0.01
    27   1    -0.00  -0.00   0.01    -0.22  -0.14   0.05     0.05   0.04  -0.02
    28   1    -0.10  -0.19   0.09    -0.06  -0.12   0.05    -0.07  -0.07   0.21
    29   1    -0.03  -0.08   0.03    -0.02  -0.06   0.01     0.01  -0.03   0.05
    30   1    -0.09  -0.17  -0.14    -0.06  -0.13  -0.09    -0.09  -0.10   0.03
    31   1    -0.06  -0.06  -0.04    -0.03  -0.06  -0.05    -0.04  -0.03   0.04
    32   1     0.07  -0.03   0.09    -0.01   0.06   0.05    -0.01  -0.02  -0.01
    33   1    -0.02  -0.05  -0.14     0.07   0.05   0.37    -0.01  -0.01  -0.09
    34   1     0.01  -0.04  -0.11     0.07  -0.04  -0.36    -0.01   0.00   0.08
    35   1    -0.07  -0.02   0.10    -0.01  -0.06  -0.06    -0.01   0.02   0.01
    36   1     0.02  -0.01   0.01    -0.22   0.14  -0.06     0.05  -0.04   0.02
    37   1    -0.01  -0.03   0.05    -0.11   0.04   0.02     0.03  -0.01  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.8980               870.1582               875.9344
 Red. masses --      2.9020                 2.5180                 2.4938
 Frc consts  --      1.2909                 1.1233                 1.1273
 IR Inten    --      1.7552                 0.4588                 1.2362
 RamAct Fr= 1--      6.9884                 3.2213                 0.3042
  Dep-P Fr= 1--      0.0627                 0.7472                 0.7499
  Dep-U Fr= 1--      0.1180                 0.8553                 0.8571
 Alpha2 Fr= 1--      0.1339                 0.0002                 0.0000
 Beta2  Fr= 1--      0.1374                 0.4592                 0.0435
 AlphaG Fr= 1--     -0.0693                -0.0001                 0.0000
 Gamma2 Fr= 1--     -0.4335                -1.4539                 0.2341
 Delta2 Fr= 1--     -1.4375                -0.6864                -0.0789
 Raman1 Fr= 1--      27.954                 12.885                  1.217
 ROA1   Fr= 1--     -87.619               -161.535                 19.953
 CID1   Fr= 1--      -3.134                -12.537                 16.396
 Raman2 Fr= 1--       1.649                  5.510                  0.522
 ROA2   Fr= 1--       1.096                -29.402                  6.250
 CID2   Fr= 1--       0.665                 -5.336                 11.985
 Raman3 Fr= 1--       3.298                 11.020                  1.043
 ROA3   Fr= 1--     -87.619               -161.535                 19.953
 CID3   Fr= 1--     -26.569                -14.658                 19.129
 RC180  Fr= 1--      -0.764                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09    -0.01  -0.13   0.07    -0.00  -0.04   0.03
     2   6     0.11  -0.02  -0.08     0.00  -0.13   0.08    -0.00  -0.04   0.03
     3   7    -0.09   0.05  -0.03    -0.11   0.10  -0.07    -0.04   0.02  -0.04
     4  45     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.01
     5   7     0.03   0.12   0.08    -0.01   0.01   0.00    -0.03  -0.08  -0.08
     6   6    -0.07  -0.04  -0.06     0.04   0.02  -0.04    -0.02   0.01   0.11
     7   6     0.03  -0.10  -0.08     0.00   0.04  -0.02    -0.01  -0.01   0.11
     8   7    -0.01   0.00   0.02    -0.04  -0.04   0.04     0.06   0.07  -0.09
     9   7    -0.08  -0.04   0.03     0.12   0.10  -0.07     0.04   0.02  -0.04
    10   7     0.03  -0.12  -0.09     0.01   0.02   0.00     0.03  -0.08  -0.08
    11   6    -0.08   0.04   0.06    -0.04   0.02  -0.04     0.02   0.01   0.11
    12   6     0.03   0.10   0.08    -0.00   0.04  -0.03     0.01  -0.01   0.11
    13   7    -0.01  -0.00  -0.01     0.04  -0.04   0.04    -0.06   0.07  -0.09
    14   1    -0.17  -0.02   0.05    -0.07  -0.06   0.04     0.24   0.05  -0.13
    15   1     0.03  -0.02   0.04     0.19  -0.05  -0.00    -0.32   0.14   0.02
    16   1    -0.00   0.14   0.09    -0.03   0.04   0.01     0.09  -0.22  -0.12
    17   1     0.30  -0.25  -0.04    -0.01   0.01   0.01    -0.25   0.17   0.01
    18   1     0.00  -0.14  -0.09     0.03   0.04   0.01    -0.09  -0.22  -0.12
    19   1     0.30   0.25   0.04    -0.00   0.01   0.01     0.25   0.17   0.01
    20   1    -0.17   0.01  -0.05     0.07  -0.06   0.04    -0.24   0.05  -0.13
    21   1     0.02   0.01  -0.04    -0.19  -0.05  -0.00     0.32   0.14   0.02
    22   1     0.03  -0.10  -0.15     0.04  -0.05   0.06    -0.03  -0.02  -0.06
    23   1     0.03  -0.03  -0.05    -0.00  -0.05  -0.03    -0.04  -0.01  -0.09
    24   1     0.05  -0.13  -0.02     0.03  -0.02   0.06    -0.04   0.01  -0.07
    25   1     0.02  -0.05  -0.01     0.02  -0.03   0.03    -0.04  -0.02  -0.10
    26   1    -0.09  -0.04   0.02    -0.01   0.09  -0.08     0.00   0.01   0.03
    27   1    -0.17  -0.06   0.02     0.01   0.10  -0.09    -0.02   0.10  -0.06
    28   1     0.04   0.13   0.02    -0.03  -0.02   0.06     0.04   0.01  -0.07
    29   1     0.02   0.05   0.01    -0.02  -0.03   0.03     0.04  -0.02  -0.10
    30   1     0.03   0.10   0.15    -0.04  -0.05   0.06     0.03  -0.02  -0.06
    31   1     0.03   0.02   0.05     0.00  -0.05  -0.03     0.04  -0.01  -0.09
    32   1    -0.05   0.05   0.02    -0.22   0.07  -0.29    -0.08   0.01  -0.05
    33   1     0.06   0.06   0.31     0.05   0.15   0.41     0.02   0.05   0.12
    34   1     0.06  -0.05  -0.28    -0.06   0.15   0.44    -0.02   0.05   0.13
    35   1    -0.03  -0.04  -0.04     0.22   0.07  -0.29     0.08   0.01  -0.05
    36   1    -0.17   0.07  -0.03     0.00   0.09  -0.08     0.02   0.09  -0.06
    37   1    -0.09   0.05  -0.02     0.02   0.08  -0.08    -0.00   0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.0490               982.9576               983.3173
 Red. masses --      2.2022                 2.2255                 2.2179
 Frc consts  --      1.2488                 1.2669                 1.2635
 IR Inten    --      9.7356                 1.1075                 0.0123
 RamAct Fr= 1--      0.6671                 2.8557                 3.2248
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7495
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0953                 0.4079                 0.4605
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0005
 Gamma2 Fr= 1--     -0.2996                 1.5418                -0.7481
 Delta2 Fr= 1--     -0.3352                 0.5525                -1.3171
 Raman1 Fr= 1--       2.668                 11.423                 12.899
 ROA1   Fr= 1--     -39.484                165.697               -113.968
 CID1   Fr= 1--     -14.797                 14.506                 -8.835
 Raman2 Fr= 1--       1.144                  4.895                  5.526
 ROA2   Fr= 1--      -4.508                 32.584                 -7.419
 CID2   Fr= 1--      -3.942                  6.656                 -1.342
 Raman3 Fr= 1--       2.287                  9.791                 11.052
 ROA3   Fr= 1--     -39.484                165.697               -113.968
 CID3   Fr= 1--     -17.263                 16.924                -10.312
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.00  -0.00    -0.20  -0.01  -0.00     0.00  -0.00   0.00
     2   6     0.06  -0.00  -0.00     0.20  -0.01   0.00     0.00   0.00  -0.00
     3   7    -0.03   0.01   0.00    -0.09   0.02  -0.01    -0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.03  -0.06  -0.02     0.01   0.02   0.00     0.04   0.06   0.02
     6   6     0.07   0.12  -0.00    -0.02  -0.04   0.01    -0.08  -0.13  -0.00
     7   6    -0.07  -0.12   0.01     0.01   0.03  -0.01     0.07   0.13  -0.00
     8   7     0.03   0.06  -0.02    -0.01  -0.02   0.01    -0.03  -0.06   0.02
     9   7     0.02   0.01   0.00     0.09   0.02  -0.01    -0.00   0.00  -0.00
    10   7     0.03  -0.06  -0.02    -0.01   0.02   0.00     0.04  -0.06  -0.02
    11   6    -0.07   0.12   0.00     0.02  -0.04   0.01    -0.08   0.12   0.00
    12   6     0.07  -0.12   0.01    -0.01   0.04  -0.01     0.07  -0.13   0.00
    13   7    -0.03   0.06  -0.02     0.01  -0.02   0.01    -0.03   0.06  -0.02
    14   1    -0.16   0.01   0.17     0.07   0.03  -0.05     0.15  -0.01  -0.17
    15   1     0.25   0.12   0.14    -0.10  -0.04  -0.06    -0.26  -0.14  -0.15
    16   1    -0.09   0.12   0.17     0.03   0.01  -0.04     0.08  -0.14  -0.17
    17   1     0.02  -0.26   0.14     0.02   0.05  -0.03    -0.02   0.29  -0.16
    18   1     0.09   0.12   0.17    -0.03   0.01  -0.04     0.08   0.13   0.17
    19   1    -0.02  -0.27   0.14    -0.02   0.05  -0.03    -0.02  -0.29   0.16
    20   1     0.16   0.01   0.18    -0.07   0.03  -0.05     0.14   0.01   0.17
    21   1    -0.25   0.12   0.14     0.10  -0.04  -0.06    -0.25   0.13   0.15
    22   1     0.12  -0.16  -0.04    -0.02   0.03  -0.01     0.12  -0.16  -0.03
    23   1     0.09  -0.09  -0.00    -0.05   0.07   0.01     0.10  -0.10  -0.01
    24   1    -0.08   0.19  -0.05     0.03  -0.08   0.02    -0.08   0.19  -0.03
    25   1    -0.02   0.11  -0.00    -0.01  -0.00   0.00    -0.04   0.14  -0.01
    26   1     0.06   0.01   0.00     0.19   0.03   0.05     0.00   0.00  -0.00
    27   1     0.07   0.01   0.01     0.26   0.06   0.01     0.01  -0.01   0.00
    28   1     0.08   0.19  -0.05    -0.03  -0.08   0.02    -0.08  -0.19   0.03
    29   1     0.02   0.11  -0.00     0.01  -0.00   0.00    -0.04  -0.14   0.01
    30   1    -0.12  -0.16  -0.04     0.01   0.02  -0.01     0.12   0.16   0.03
    31   1    -0.09  -0.09  -0.00     0.05   0.07   0.01     0.10   0.10   0.01
    32   1     0.03  -0.04   0.07     0.10  -0.15   0.25    -0.00  -0.00   0.00
    33   1    -0.10  -0.08  -0.04    -0.33  -0.27  -0.12    -0.00  -0.00   0.01
    34   1     0.10  -0.08  -0.04     0.33  -0.27  -0.12    -0.00   0.00  -0.01
    35   1    -0.03  -0.04   0.07    -0.10  -0.15   0.25    -0.00   0.00  -0.00
    36   1    -0.07   0.01   0.01    -0.26   0.06   0.01     0.01   0.01  -0.00
    37   1    -0.06   0.01   0.00    -0.19   0.03   0.04     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    999.5208              1001.8754              1006.9001
 Red. masses --      1.2517                 1.2631                 1.2633
 Frc consts  --      0.7368                 0.7470                 0.7546
 IR Inten    --      2.5659                 8.2692                 9.5285
 RamAct Fr= 1--      1.0427                 0.0745                 0.3034
  Dep-P Fr= 1--      0.0860                 0.7492                 0.3511
  Dep-U Fr= 1--      0.1583                 0.8566                 0.5197
 Alpha2 Fr= 1--      0.0189                 0.0000                 0.0027
 Beta2  Fr= 1--      0.0275                 0.0106                 0.0263
 AlphaG Fr= 1--     -0.0137                -0.0000                 0.0964
 Gamma2 Fr= 1--      1.8797                 1.1222                -1.4849
 Delta2 Fr= 1--      0.0306                -0.1384                 0.0220
 Raman1 Fr= 1--       4.171                  0.298                  1.214
 ROA1   Fr= 1--     181.432                103.299               -141.845
 CID1   Fr= 1--      43.502                346.486               -116.872
 Raman2 Fr= 1--       0.330                  0.128                  0.315
 ROA2   Fr= 1--      44.869                 28.040                -35.813
 CID2   Fr= 1--     135.906                219.584               -113.557
 Raman3 Fr= 1--       0.660                  0.255                  0.631
 ROA3   Fr= 1--     181.432                103.299               -141.845
 CID3   Fr= 1--     274.776                404.474               -224.882
 RC180  Fr= 1--      -0.683                  0.713                  0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07   0.04     0.02  -0.00   0.00    -0.01   0.05   0.03
     2   6    -0.02  -0.07  -0.04    -0.02  -0.00   0.00    -0.01  -0.05  -0.03
     3   7    -0.00   0.02   0.00     0.01  -0.00  -0.01    -0.01   0.02   0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00  -0.00   0.01    -0.01   0.00  -0.01    -0.01   0.01  -0.01
     6   6    -0.02   0.03  -0.03     0.04  -0.04   0.04     0.03  -0.03   0.04
     7   6     0.04  -0.01   0.02    -0.06   0.00  -0.05    -0.04   0.01  -0.04
     8   7    -0.01  -0.00  -0.00     0.00  -0.00   0.02     0.01  -0.00   0.01
     9   7    -0.00  -0.02  -0.00    -0.01  -0.00  -0.01    -0.01  -0.02  -0.00
    10   7     0.00   0.00  -0.01     0.01   0.00  -0.01    -0.01  -0.01   0.01
    11   6    -0.02  -0.03   0.03    -0.04  -0.04   0.04     0.03   0.03  -0.04
    12   6     0.04   0.01  -0.02     0.06   0.00  -0.05    -0.04  -0.01   0.04
    13   7    -0.01   0.00   0.00    -0.00  -0.00   0.02     0.01   0.00  -0.01
    14   1    -0.13  -0.09   0.03     0.20   0.17  -0.01     0.17   0.14  -0.02
    15   1     0.12  -0.00   0.05    -0.18  -0.00  -0.09    -0.17   0.01  -0.07
    16   1    -0.02  -0.15  -0.01     0.04   0.27   0.02     0.04   0.22   0.00
    17   1    -0.05   0.09  -0.06     0.10  -0.18   0.10     0.08  -0.13   0.07
    18   1    -0.02   0.14   0.01    -0.04   0.27   0.03     0.05  -0.22  -0.01
    19   1    -0.05  -0.09   0.06    -0.10  -0.18   0.10     0.08   0.13  -0.07
    20   1    -0.13   0.09  -0.02    -0.20   0.17  -0.01     0.17  -0.14   0.02
    21   1     0.12   0.00  -0.05     0.18   0.00  -0.09    -0.17  -0.01   0.07
    22   1     0.08  -0.10  -0.02     0.13  -0.15  -0.03    -0.11   0.12   0.02
    23   1    -0.09   0.13  -0.00    -0.17   0.23  -0.01     0.13  -0.18   0.01
    24   1     0.04  -0.11   0.02     0.07  -0.18   0.04    -0.05   0.15  -0.02
    25   1    -0.08   0.15  -0.01    -0.12   0.27   0.00     0.09  -0.22  -0.01
    26   1     0.32   0.01   0.03     0.00  -0.00   0.01     0.24   0.00   0.04
    27   1    -0.22  -0.06  -0.03    -0.02   0.01  -0.01    -0.15  -0.03  -0.02
    28   1     0.04   0.12  -0.03    -0.07  -0.18   0.04    -0.05  -0.15   0.02
    29   1    -0.08  -0.16   0.01     0.12   0.27   0.00     0.09   0.22   0.01
    30   1     0.08   0.10   0.02    -0.13  -0.15  -0.03    -0.11  -0.12  -0.02
    31   1    -0.09  -0.14   0.00     0.17   0.23  -0.01     0.13   0.18  -0.01
    32   1     0.30   0.02   0.11    -0.01   0.01  -0.02     0.21   0.01   0.08
    33   1    -0.11  -0.16  -0.15     0.03   0.02   0.03    -0.08  -0.13  -0.10
    34   1    -0.11   0.16   0.15    -0.03   0.03   0.03    -0.08   0.12   0.10
    35   1     0.30  -0.02  -0.11     0.01   0.01  -0.03     0.21  -0.01  -0.08
    36   1    -0.23   0.06   0.03     0.01   0.01  -0.01    -0.15   0.03   0.02
    37   1     0.32  -0.01  -0.03     0.01  -0.00   0.01     0.24  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.9813              1049.0063              1049.9742
 Red. masses --      3.1900                 3.1931                 3.1436
 Frc consts  --      2.0681                 2.0702                 2.0419
 IR Inten    --     70.0807                49.1818                18.0325
 RamAct Fr= 1--      0.8440                 1.5014                 0.7443
  Dep-P Fr= 1--      0.7477                 0.6381                 0.2679
  Dep-U Fr= 1--      0.8556                 0.7791                 0.4225
 Alpha2 Fr= 1--      0.0000                 0.0030                 0.0084
 Beta2  Fr= 1--      0.1204                 0.1950                 0.0524
 AlphaG Fr= 1--      0.0004                 0.0353                 0.0125
 Gamma2 Fr= 1--     -0.5501                 0.4331                 0.2085
 Delta2 Fr= 1--     -1.7166                -0.2220                 0.4893
 Raman1 Fr= 1--       3.376                  6.006                  2.977
 ROA1   Fr= 1--    -107.741                 34.473                 35.672
 CID1   Fr= 1--     -31.913                  5.740                 11.982
 Raman2 Fr= 1--       1.444                  2.340                  0.629
 ROA2   Fr= 1--       0.530                 12.171                  1.089
 CID2   Fr= 1--       0.367                  5.202                  1.731
 Raman3 Fr= 1--       2.889                  4.679                  1.258
 ROA3   Fr= 1--    -107.741                 34.473                 35.672
 CID3   Fr= 1--     -37.299                  7.367                 28.359
 RC180  Fr= 1--       0.711                  0.558                 -0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.04   0.04  -0.09     0.09   0.10  -0.20
     2   6     0.00  -0.00   0.01     0.04  -0.04   0.09     0.09  -0.10   0.20
     3   7    -0.00   0.00  -0.00    -0.06   0.02  -0.01    -0.12   0.06  -0.02
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.06  -0.09  -0.05    -0.04  -0.07  -0.04     0.02   0.03   0.02
     6   6    -0.07   0.13   0.14    -0.05   0.10   0.10     0.03  -0.05  -0.05
     7   6     0.15   0.00  -0.14     0.11   0.01  -0.10    -0.05  -0.00   0.05
     8   7    -0.05  -0.09   0.06    -0.04  -0.07   0.04     0.02   0.03  -0.02
     9   7    -0.01  -0.00  -0.00    -0.06  -0.02   0.01    -0.12  -0.06   0.02
    10   7     0.05  -0.07  -0.04    -0.05   0.08   0.05     0.02  -0.03  -0.02
    11   6     0.06   0.11   0.11    -0.06  -0.12  -0.13     0.03   0.05   0.05
    12   6    -0.12   0.00  -0.12     0.14  -0.01   0.13    -0.06   0.00  -0.05
    13   7     0.04  -0.08   0.05    -0.04   0.09  -0.05     0.02  -0.03   0.02
    14   1    -0.05   0.23   0.16    -0.04   0.16   0.11     0.02  -0.09  -0.06
    15   1    -0.19   0.25   0.16    -0.15   0.19   0.12     0.08  -0.10  -0.07
    16   1     0.21   0.06  -0.16     0.16   0.05  -0.12    -0.09  -0.03   0.06
    17   1     0.33  -0.04  -0.17     0.24  -0.03  -0.13    -0.12   0.02   0.06
    18   1    -0.17   0.05  -0.13     0.20  -0.06   0.15    -0.09   0.03  -0.06
    19   1    -0.27  -0.04  -0.15     0.30   0.04   0.16    -0.13  -0.02  -0.07
    20   1     0.04   0.20   0.14    -0.05  -0.20  -0.14     0.02   0.09   0.06
    21   1     0.16   0.21   0.14    -0.19  -0.24  -0.15     0.08   0.11   0.07
    22   1    -0.07   0.08  -0.04     0.09  -0.10   0.05    -0.03   0.03  -0.02
    23   1    -0.01  -0.02  -0.05    -0.00   0.04   0.06     0.01  -0.02  -0.02
    24   1    -0.04   0.11   0.04     0.04  -0.12  -0.04    -0.01   0.03   0.02
    25   1     0.04  -0.03   0.06    -0.03   0.02  -0.06     0.01  -0.01   0.02
    26   1    -0.01  -0.01   0.01    -0.05  -0.03   0.02    -0.04  -0.06   0.05
    27   1     0.02  -0.00   0.00     0.10  -0.02   0.03     0.15  -0.04   0.05
    28   1     0.05   0.14   0.05     0.03   0.10   0.04    -0.01  -0.03  -0.02
    29   1    -0.04  -0.03   0.07    -0.02  -0.01   0.04     0.01   0.01  -0.02
    30   1     0.09   0.10  -0.05     0.07   0.08  -0.04    -0.03  -0.03   0.02
    31   1     0.01  -0.03  -0.06    -0.00  -0.03  -0.05     0.01   0.02   0.02
    32   1    -0.00   0.00  -0.01     0.06   0.05  -0.12     0.19   0.11  -0.24
    33   1     0.01   0.01  -0.02     0.08   0.05  -0.16     0.15   0.07  -0.41
    34   1     0.00  -0.00   0.01     0.08  -0.05   0.16     0.15  -0.07   0.41
    35   1     0.02  -0.01   0.02     0.06  -0.05   0.12     0.19  -0.11   0.24
    36   1    -0.00   0.00  -0.00     0.10   0.02  -0.03     0.15   0.04  -0.05
    37   1     0.00  -0.00   0.00    -0.05   0.03  -0.02    -0.04   0.06  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.6536              1114.7610              1122.3411
 Red. masses --      1.0219                 1.0233                 1.0312
 Frc consts  --      0.7481                 0.7492                 0.7653
 IR Inten    --      0.9855                 0.5359                 0.1790
 RamAct Fr= 1--      0.6418                 0.6632                 0.5590
  Dep-P Fr= 1--      0.7488                 0.7498                 0.7500
  Dep-U Fr= 1--      0.8563                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0916                 0.0947                 0.0799
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.8389                -0.4889                 0.1493
 Delta2 Fr= 1--      0.1537                -0.0735                -0.0619
 Raman1 Fr= 1--       2.567                  2.653                  2.236
 ROA1   Fr= 1--      85.451                -49.284                 12.348
 CID1   Fr= 1--      33.287                -18.578                  5.523
 Raman2 Fr= 1--       1.099                  1.137                  0.958
 ROA2   Fr= 1--      18.903                -11.145                  4.077
 CID2   Fr= 1--      17.199                 -9.805                  4.255
 Raman3 Fr= 1--       2.198                  2.273                  1.916
 ROA3   Fr= 1--      85.451                -49.284                 12.348
 CID3   Fr= 1--      38.872                -21.679                  6.443
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.00
     3   7    -0.01   0.00  -0.01     0.01  -0.01   0.01    -0.02   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.01   0.01
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01  -0.00
     7   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     8   7     0.01   0.01  -0.01     0.00  -0.00   0.00    -0.01  -0.00   0.01
     9   7     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.02   0.00   0.00
    10   7    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01   0.01   0.01
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
    13   7     0.01  -0.00   0.00     0.01  -0.01   0.01     0.01  -0.00   0.01
    14   1    -0.05   0.26   0.18     0.00  -0.01  -0.01     0.04  -0.20  -0.14
    15   1     0.01  -0.15  -0.13    -0.00   0.02   0.01     0.01   0.09   0.09
    16   1    -0.25  -0.07   0.19     0.02   0.02  -0.01     0.18   0.06  -0.14
    17   1     0.12   0.05  -0.12     0.00  -0.00  -0.00    -0.07  -0.06   0.09
    18   1    -0.14   0.04  -0.11    -0.21   0.07  -0.16    -0.18   0.06  -0.14
    19   1     0.08  -0.03   0.08     0.09  -0.04   0.09     0.07  -0.06   0.09
    20   1    -0.03  -0.16  -0.11    -0.04  -0.21  -0.15    -0.04  -0.20  -0.14
    21   1     0.01   0.08   0.07     0.01   0.12   0.11    -0.01   0.09   0.09
    22   1    -0.06   0.07   0.05    -0.09   0.10   0.06    -0.10   0.12   0.07
    23   1     0.12  -0.20  -0.02     0.18  -0.27  -0.02     0.13  -0.22  -0.02
    24   1     0.03  -0.08   0.05     0.05  -0.15   0.07     0.05  -0.13   0.07
    25   1    -0.11   0.20  -0.02    -0.14   0.26  -0.03    -0.13   0.23  -0.03
    26   1    -0.16  -0.02   0.00     0.34   0.03  -0.00    -0.28  -0.02  -0.02
    27   1     0.11   0.05   0.00    -0.18  -0.10   0.00     0.08   0.06   0.00
    28   1     0.06   0.17  -0.09    -0.01  -0.03   0.01    -0.04  -0.13   0.07
    29   1    -0.17  -0.33   0.04     0.00   0.01   0.00     0.13   0.23  -0.03
    30   1    -0.11  -0.12  -0.08     0.01   0.01   0.00     0.10   0.12   0.07
    31   1     0.21   0.33   0.02    -0.02  -0.02  -0.00    -0.13  -0.22  -0.02
    32   1    -0.08  -0.05   0.10     0.19   0.11  -0.22    -0.14  -0.08   0.17
    33   1     0.04   0.03  -0.03    -0.11  -0.08   0.10     0.08   0.06  -0.10
    34   1    -0.06   0.04  -0.06     0.10  -0.08   0.09    -0.08   0.06  -0.10
    35   1     0.09  -0.05   0.10    -0.19   0.10  -0.22     0.14  -0.08   0.17
    36   1    -0.07   0.04  -0.00     0.20  -0.10  -0.00    -0.08   0.05   0.00
    37   1     0.16  -0.02   0.00    -0.34   0.03  -0.01     0.28  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1169.7392              1172.2164              1187.5741
 Red. masses --      1.0756                 1.0709                 1.0598
 Frc consts  --      0.8671                 0.8670                 0.8807
 IR Inten    --     75.6774                66.4289                 1.6260
 RamAct Fr= 1--      9.0515                 9.4727                10.9728
  Dep-P Fr= 1--      0.7500                 0.7392                 0.2904
  Dep-U Fr= 1--      0.8571                 0.8501                 0.4501
 Alpha2 Fr= 1--      0.0000                 0.0017                 0.1158
 Beta2  Fr= 1--      1.2931                 1.3420                 0.8232
 AlphaG Fr= 1--      0.0000                 0.0267                 0.2054
 Gamma2 Fr= 1--     -6.2265                -1.8382                 0.9203
 Delta2 Fr= 1--      2.3498                 4.7317                -6.0912
 Raman1 Fr= 1--      36.206                 37.891                 43.891
 ROA1   Fr= 1--    -522.550                -25.048               -106.566
 CID1   Fr= 1--     -14.433                 -0.661                 -2.428
 Raman2 Fr= 1--      15.517                 16.105                  9.878
 ROA2   Fr= 1--    -168.235                -81.970                 70.818
 CID2   Fr= 1--     -10.842                 -5.090                  7.169
 Raman3 Fr= 1--      31.033                 32.209                 19.757
 ROA3   Fr= 1--    -522.550                -25.048               -106.566
 CID3   Fr= 1--     -16.838                 -0.778                 -5.394
 RC180  Fr= 1--       0.714                  0.700                 -0.100
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7     0.00  -0.00  -0.00    -0.03   0.00   0.02    -0.03   0.01   0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
     8   7    -0.00  -0.04  -0.00    -0.00  -0.02   0.00    -0.00   0.03  -0.00
     9   7    -0.00  -0.00  -0.00    -0.03  -0.00  -0.02    -0.03  -0.01  -0.01
    10   7     0.03  -0.02   0.00    -0.02   0.01  -0.00     0.01  -0.01  -0.01
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    13   7     0.00  -0.04  -0.00    -0.00   0.02  -0.00     0.00  -0.03   0.00
    14   1     0.01   0.02   0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    15   1     0.06  -0.22  -0.18     0.03  -0.14  -0.12    -0.01   0.17   0.15
    16   1     0.02   0.01  -0.01     0.03   0.01  -0.02    -0.01  -0.02   0.01
    17   1    -0.22  -0.06   0.19    -0.15  -0.04   0.13     0.17   0.06  -0.16
    18   1    -0.02   0.01  -0.01     0.03  -0.01   0.02    -0.01   0.02  -0.01
    19   1     0.21  -0.06   0.18    -0.16   0.04  -0.13     0.17  -0.06   0.16
    20   1    -0.01   0.02   0.00    -0.00   0.00   0.00    -0.02   0.03   0.01
    21   1    -0.06  -0.22  -0.17     0.03   0.14   0.12    -0.01  -0.17  -0.15
    22   1    -0.20   0.28  -0.00     0.14  -0.20   0.01    -0.14   0.18   0.01
    23   1    -0.16   0.11  -0.04     0.11  -0.07   0.03    -0.10   0.07  -0.03
    24   1    -0.14   0.31   0.01     0.09  -0.21   0.01    -0.11   0.26  -0.01
    25   1    -0.02   0.20   0.03     0.02  -0.15  -0.03    -0.01   0.14   0.03
    26   1     0.04   0.00   0.01     0.20  -0.00   0.10     0.18  -0.00   0.08
    27   1     0.04  -0.00   0.00     0.35   0.01   0.04     0.32   0.01   0.04
    28   1     0.15   0.32   0.01     0.09   0.20  -0.01    -0.11  -0.26   0.01
    29   1     0.02   0.21   0.04     0.02   0.15   0.02    -0.01  -0.14  -0.03
    30   1     0.20   0.28  -0.00     0.13   0.19  -0.01    -0.13  -0.18  -0.01
    31   1     0.16   0.12  -0.04     0.10   0.07  -0.02    -0.10  -0.07   0.03
    32   1     0.00   0.01  -0.02     0.02   0.01  -0.02     0.01   0.01  -0.02
    33   1    -0.01  -0.02   0.02    -0.17  -0.12   0.23    -0.16  -0.12   0.20
    34   1     0.01  -0.01   0.01    -0.17   0.12  -0.23    -0.16   0.12  -0.20
    35   1    -0.00   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.01   0.02
    36   1    -0.03  -0.01   0.00     0.35  -0.01  -0.04     0.32  -0.01  -0.04
    37   1    -0.03   0.00   0.00     0.20   0.00  -0.10     0.18   0.00  -0.08
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1220.9687              1225.8555              1244.6043
 Red. masses --      1.2511                 1.2539                 1.2432
 Frc consts  --      1.0989                 1.1102                 1.1346
 IR Inten    --     10.0385                 4.2227                23.5377
 RamAct Fr= 1--      7.7526                 7.3389                 0.9716
  Dep-P Fr= 1--      0.7450                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8539                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0000
 Beta2  Fr= 1--      1.1033                 1.0484                 0.1388
 AlphaG Fr= 1--     -0.0006                 0.0000                 0.0000
 Gamma2 Fr= 1--      4.1869                -0.0431                -0.1328
 Delta2 Fr= 1--      1.0583                -0.0289                -0.1776
 Raman1 Fr= 1--      31.010                 29.356                  3.887
 ROA1   Fr= 1--     435.805                 -5.066                -18.431
 CID1   Fr= 1--      14.054                 -0.173                 -4.742
 Raman2 Fr= 1--      13.240                 12.581                  1.666
 ROA2   Fr= 1--      92.018                 -0.804                 -1.766
 CID2   Fr= 1--       6.950                 -0.064                 -1.060
 Raman3 Fr= 1--      26.479                 25.162                  3.331
 ROA3   Fr= 1--     435.805                 -5.066                -18.431
 CID3   Fr= 1--      16.458                 -0.201                 -5.533
 RC180  Fr= 1--       0.708                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.04  -0.00   0.02    -0.03   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.04  -0.00   0.02     0.03   0.00  -0.01
     3   7    -0.00   0.00   0.00     0.05  -0.00  -0.03    -0.04  -0.00   0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.05   0.03  -0.01    -0.03  -0.02   0.01    -0.04  -0.02   0.00
     6   6    -0.03  -0.02   0.01     0.01   0.02  -0.01     0.02   0.02   0.00
     7   6     0.01   0.04   0.01    -0.00  -0.03   0.00    -0.00  -0.03  -0.00
     8   7    -0.00  -0.05  -0.01    -0.00   0.04   0.00    -0.00   0.04   0.00
     9   7    -0.00  -0.00  -0.00    -0.05  -0.00  -0.03     0.04  -0.00   0.02
    10   7     0.05  -0.03   0.01     0.03  -0.02   0.01     0.04  -0.02   0.00
    11   6    -0.03   0.02  -0.01    -0.01   0.02  -0.01    -0.02   0.02   0.00
    12   6     0.01  -0.04  -0.01     0.00  -0.03   0.00     0.00  -0.03  -0.00
    13   7    -0.00   0.05   0.01     0.00   0.04   0.00     0.00   0.04   0.00
    14   1    -0.00   0.03   0.00    -0.02  -0.03  -0.01     0.01   0.05   0.04
    15   1    -0.08   0.08   0.08     0.07  -0.02  -0.01     0.08  -0.10  -0.08
    16   1    -0.03  -0.02   0.01     0.03  -0.00  -0.01    -0.03  -0.02   0.04
    17   1    -0.09   0.06   0.04     0.07  -0.01  -0.06     0.09  -0.03  -0.06
    18   1    -0.03   0.02  -0.01    -0.03  -0.00  -0.01     0.03  -0.02   0.04
    19   1    -0.09  -0.06  -0.04    -0.07  -0.01  -0.06    -0.10  -0.03  -0.06
    20   1    -0.00  -0.03  -0.00     0.02  -0.03  -0.01    -0.01   0.05   0.04
    21   1    -0.07  -0.08  -0.08    -0.08  -0.02  -0.01    -0.08  -0.10  -0.08
    22   1    -0.26   0.36   0.01    -0.15   0.22  -0.02    -0.19   0.27   0.02
    23   1    -0.17   0.08  -0.06    -0.11   0.06  -0.02    -0.15   0.08  -0.06
    24   1     0.18  -0.38  -0.00     0.13  -0.28   0.03     0.12  -0.26   0.02
    25   1    -0.02  -0.18  -0.04    -0.02  -0.11  -0.04    -0.01  -0.16  -0.05
    26   1     0.02  -0.00   0.02     0.18  -0.01   0.14    -0.14   0.00  -0.10
    27   1     0.02  -0.01   0.00     0.45   0.04   0.03    -0.39  -0.02  -0.04
    28   1     0.18   0.39   0.00    -0.12  -0.27   0.03    -0.12  -0.26   0.02
    29   1    -0.02   0.18   0.04     0.02  -0.10  -0.04     0.01  -0.16  -0.05
    30   1    -0.26  -0.37  -0.01     0.14   0.21  -0.02     0.19   0.26   0.02
    31   1    -0.18  -0.08   0.06     0.11   0.06  -0.02     0.15   0.08  -0.05
    32   1     0.01   0.00  -0.01    -0.01   0.01   0.01     0.03  -0.00  -0.02
    33   1    -0.01   0.00   0.02    -0.02  -0.02   0.14     0.01   0.02  -0.10
    34   1    -0.01  -0.00  -0.03     0.02  -0.02   0.14    -0.01   0.02  -0.10
    35   1     0.01  -0.00   0.01     0.01   0.01   0.01    -0.03  -0.00  -0.02
    36   1     0.02   0.01  -0.00    -0.45   0.04   0.03     0.39  -0.01  -0.04
    37   1     0.03   0.00  -0.02    -0.18  -0.01   0.14     0.14   0.00  -0.10
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2763              1292.8694              1298.2383
 Red. masses --      1.3918                 1.3945                 1.3675
 Frc consts  --      1.3694                 1.3734                 1.3580
 IR Inten    --      1.0600                 0.2030                 0.5098
 RamAct Fr= 1--      0.2650                 5.2932                 3.6998
  Dep-P Fr= 1--      0.7457                 0.1058                 0.5168
  Dep-U Fr= 1--      0.8543                 0.1913                 0.6814
 Alpha2 Fr= 1--      0.0000                 0.0914                 0.0169
 Beta2  Fr= 1--      0.0377                 0.1688                 0.4202
 AlphaG Fr= 1--      0.0000                 0.0300                -0.0513
 Gamma2 Fr= 1--     -0.2757                 0.2769                -1.6233
 Delta2 Fr= 1--     -0.4219                -0.7730                 0.6565
 Raman1 Fr= 1--       1.060                 21.173                 14.799
 ROA1   Fr= 1--     -39.969                  1.849               -134.830
 CID1   Fr= 1--     -37.711                  0.087                 -9.111
 Raman2 Fr= 1--       0.453                  2.025                  5.042
 ROA2   Fr= 1--      -3.242                 12.830                -44.212
 CID2   Fr= 1--      -7.161                  6.335                 -8.768
 Raman3 Fr= 1--       0.905                  4.050                 10.085
 ROA3   Fr= 1--     -39.969                  1.849               -134.830
 CID3   Fr= 1--     -44.142                  0.457                -13.370
 RC180  Fr= 1--       0.709                 -0.617                  0.363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.10  -0.04    -0.01   0.05   0.01
     2   6     0.00   0.00  -0.00     0.01   0.10   0.04    -0.01  -0.05  -0.01
     3   7    -0.01  -0.00   0.00    -0.02  -0.03  -0.02     0.02   0.02   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.02   0.02    -0.01   0.01  -0.01    -0.01   0.02  -0.01
     6   6    -0.05   0.03  -0.06     0.03  -0.02   0.03     0.04  -0.03   0.05
     7   6     0.05  -0.02   0.06    -0.03   0.01  -0.03    -0.05   0.03  -0.05
     8   7    -0.03  -0.01  -0.02     0.01   0.00   0.01     0.02  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.02   0.03   0.02     0.02  -0.02  -0.01
    10   7    -0.02  -0.02   0.02    -0.01  -0.01   0.01    -0.01  -0.02   0.01
    11   6     0.05   0.03  -0.06     0.02   0.02  -0.03     0.04   0.03  -0.05
    12   6    -0.05  -0.02   0.06    -0.03  -0.01   0.03    -0.05  -0.03   0.05
    13   7     0.03  -0.01  -0.02     0.01  -0.00  -0.01     0.02   0.00  -0.01
    14   1    -0.23   0.09   0.14     0.10  -0.04  -0.06     0.20  -0.12  -0.14
    15   1     0.08   0.01   0.02    -0.05   0.01  -0.00    -0.09   0.04   0.02
    16   1     0.18  -0.15  -0.13    -0.08   0.09   0.06    -0.19   0.12   0.13
    17   1    -0.04   0.09  -0.02     0.02  -0.03  -0.01     0.06  -0.06  -0.00
    18   1    -0.18  -0.16  -0.13    -0.08  -0.08  -0.06    -0.19  -0.12  -0.13
    19   1     0.04   0.09  -0.02     0.02   0.02   0.01     0.06   0.06   0.00
    20   1     0.23   0.09   0.14     0.10   0.04   0.05     0.20   0.12   0.15
    21   1    -0.08   0.01   0.02    -0.04  -0.01   0.00    -0.09  -0.04  -0.02
    22   1     0.13  -0.16  -0.10     0.05  -0.06  -0.05     0.09  -0.11  -0.09
    23   1    -0.15   0.28   0.07    -0.07   0.13   0.03    -0.13   0.24   0.05
    24   1     0.05  -0.14   0.11     0.02  -0.06   0.05     0.06  -0.16   0.10
    25   1    -0.17   0.30  -0.07    -0.07   0.13  -0.03    -0.14   0.23  -0.06
    26   1    -0.02   0.00  -0.02     0.39   0.08  -0.04    -0.23  -0.05   0.02
    27   1    -0.05  -0.00  -0.01    -0.23  -0.14   0.01     0.13   0.08  -0.01
    28   1    -0.05  -0.14   0.11     0.02   0.07  -0.06     0.06   0.16  -0.10
    29   1     0.17   0.29  -0.07    -0.08  -0.14   0.04    -0.14  -0.22   0.06
    30   1    -0.12  -0.16  -0.10     0.05   0.07   0.05     0.09   0.11   0.09
    31   1     0.15   0.28   0.07    -0.07  -0.14  -0.03    -0.13  -0.24  -0.05
    32   1     0.00  -0.00  -0.00    -0.03   0.06  -0.36     0.05  -0.01   0.13
    33   1     0.01   0.01  -0.01     0.04   0.04   0.11    -0.08  -0.06   0.02
    34   1    -0.00   0.01  -0.01     0.04  -0.04  -0.11    -0.08   0.06  -0.02
    35   1    -0.00  -0.00   0.01    -0.03  -0.06   0.36     0.05   0.01  -0.13
    36   1     0.05   0.00  -0.01    -0.23   0.14  -0.02     0.13  -0.08   0.01
    37   1     0.03  -0.00  -0.01     0.39  -0.08   0.05    -0.23   0.05  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.0734              1332.4054              1341.4749
 Red. masses --      1.1833                 1.1875                 1.1773
 Frc consts  --      1.2352                 1.2421                 1.2482
 IR Inten    --     26.0411                24.1301                 0.1840
 RamAct Fr= 1--      0.9664                 4.0012                 3.2988
  Dep-P Fr= 1--      0.7500                 0.7192                 0.1795
  Dep-U Fr= 1--      0.8571                 0.8367                 0.3043
 Alpha2 Fr= 1--      0.0000                 0.0021                 0.0473
 Beta2  Fr= 1--      0.1381                 0.5579                 0.1673
 AlphaG Fr= 1--      0.0000                 0.0151                -0.0244
 Gamma2 Fr= 1--      4.0078                -0.1583                -1.1643
 Delta2 Fr= 1--      2.1228                -1.1639                -0.1015
 Raman1 Fr= 1--       3.865                 16.005                 13.195
 ROA1   Fr= 1--     452.680                -52.446               -115.018
 CID1   Fr= 1--     117.110                 -3.277                 -8.717
 Raman2 Fr= 1--       1.657                  6.695                  2.008
 ROA2   Fr= 1--      79.206                  5.511                -27.130
 CID2   Fr= 1--      47.812                  0.823                -13.512
 Raman3 Fr= 1--       3.313                 13.391                  4.016
 ROA3   Fr= 1--     452.680                -52.446               -115.018
 CID3   Fr= 1--     136.629                 -3.917                -28.641
 RC180  Fr= 1--       0.714                  0.673                 -0.391
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.01   0.05    -0.01  -0.00  -0.02
     2   6     0.00   0.00   0.00     0.01   0.01  -0.05    -0.01   0.00   0.02
     3   7    -0.00  -0.00   0.00    -0.05  -0.03   0.02     0.02   0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.02  -0.03   0.03    -0.01  -0.02   0.02    -0.02  -0.03   0.03
     6   6     0.03  -0.01  -0.02     0.02  -0.01  -0.01     0.02  -0.00  -0.02
     7   6    -0.02   0.02   0.02    -0.02   0.01   0.00    -0.01   0.02   0.02
     8   7    -0.02  -0.04  -0.03    -0.00  -0.02  -0.01    -0.02  -0.03  -0.02
     9   7     0.01  -0.00   0.00    -0.05   0.03  -0.02     0.02  -0.01   0.01
    10   7     0.02  -0.03   0.03    -0.01   0.01  -0.02    -0.02   0.03  -0.03
    11   6    -0.03  -0.01  -0.02     0.02   0.01   0.01     0.02   0.00   0.02
    12   6     0.02   0.02   0.02    -0.02  -0.01  -0.00    -0.01  -0.02  -0.02
    13   7     0.02  -0.04  -0.03    -0.00   0.01   0.01    -0.02   0.03   0.02
    14   1     0.08  -0.20  -0.16     0.04  -0.12  -0.09     0.03  -0.17  -0.12
    15   1    -0.00   0.24   0.20    -0.02   0.15   0.12     0.00   0.21   0.17
    16   1    -0.22  -0.05   0.17    -0.10   0.01   0.08    -0.16  -0.06   0.13
    17   1     0.24   0.13  -0.23     0.08   0.05  -0.10     0.19   0.11  -0.18
    18   1     0.22  -0.04   0.17    -0.09  -0.02  -0.08    -0.16   0.06  -0.13
    19   1    -0.24   0.12  -0.23     0.08  -0.05   0.09     0.19  -0.11   0.18
    20   1    -0.08  -0.20  -0.16     0.04   0.12   0.09     0.03   0.17   0.12
    21   1     0.00   0.24   0.21    -0.02  -0.14  -0.11     0.00  -0.21  -0.17
    22   1    -0.06   0.10  -0.03     0.03  -0.06   0.03     0.06  -0.10   0.05
    23   1    -0.13   0.13   0.01     0.07  -0.06  -0.00     0.17  -0.17  -0.01
    24   1    -0.07   0.12   0.04     0.03  -0.07   0.00     0.05  -0.09  -0.04
    25   1    -0.04   0.20  -0.02    -0.01  -0.05  -0.01     0.07  -0.23   0.02
    26   1    -0.03  -0.00  -0.01     0.25   0.05   0.07    -0.13  -0.02  -0.04
    27   1    -0.02   0.01  -0.00     0.15  -0.04   0.02    -0.12   0.02  -0.02
    28   1     0.06   0.12   0.04     0.03   0.07   0.00     0.05   0.09   0.04
    29   1     0.04   0.20  -0.02    -0.01   0.06   0.01     0.07   0.23  -0.02
    30   1     0.06   0.10  -0.03     0.04   0.06  -0.03     0.06   0.10  -0.05
    31   1     0.13   0.12   0.01     0.07   0.06   0.00     0.17   0.16   0.01
    32   1     0.01   0.01  -0.02    -0.18  -0.11   0.26     0.11   0.07  -0.16
    33   1    -0.02  -0.02   0.01     0.27   0.20  -0.25    -0.12  -0.08   0.11
    34   1     0.02  -0.01   0.01     0.27  -0.20   0.25    -0.12   0.08  -0.11
    35   1    -0.01   0.01  -0.01    -0.18   0.11  -0.26     0.11  -0.07   0.16
    36   1     0.02   0.01  -0.00     0.15   0.04  -0.02    -0.12  -0.02   0.02
    37   1     0.02  -0.00  -0.01     0.25  -0.04  -0.07    -0.13   0.02   0.04
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.7371              1348.0922              1351.6983
 Red. masses --      1.1923                 1.1884                 1.1988
 Frc consts  --      1.2760                 1.2725                 1.2905
 IR Inten    --      3.5102                12.8988                 6.4387
 RamAct Fr= 1--      8.2506                13.9211                 4.9621
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      1.1787                 1.9880                 0.7089
 AlphaG Fr= 1--     -0.0000                -0.0004                -0.0000
 Gamma2 Fr= 1--      8.4332               -10.3974                -2.4391
 Delta2 Fr= 1--      1.5898                -0.7800                 0.1717
 Raman1 Fr= 1--      33.002                 55.684                 19.848
 ROA1   Fr= 1--     860.461              -1023.112               -228.655
 CID1   Fr= 1--      26.073                -18.373                -11.520
 Raman2 Fr= 1--      14.144                 23.856                  8.506
 ROA2   Fr= 1--     189.678               -243.298                -59.911
 CID2   Fr= 1--      13.411                -10.199                 -7.043
 Raman3 Fr= 1--      28.288                 47.712                 17.013
 ROA3   Fr= 1--     860.461              -1023.112               -228.655
 CID3   Fr= 1--      30.418                -21.444                -13.440
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
     2   6    -0.02   0.06  -0.01    -0.00  -0.00   0.00     0.01  -0.01   0.00
     3   7    -0.04  -0.05  -0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.03   0.03    -0.01  -0.03   0.03
     6   6    -0.00  -0.00  -0.01    -0.02  -0.01  -0.04    -0.01  -0.02  -0.04
     7   6     0.00   0.00  -0.01     0.00   0.02  -0.04     0.01   0.02  -0.04
     8   7     0.00   0.01   0.01     0.02   0.01   0.03     0.02   0.02   0.03
     9   7     0.04  -0.05  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    10   7    -0.00  -0.00   0.00     0.00   0.03  -0.03     0.01  -0.03   0.03
    11   6     0.00  -0.00  -0.00    -0.02   0.01   0.04     0.01  -0.02  -0.04
    12   6    -0.00   0.00  -0.01     0.00  -0.02   0.04    -0.01   0.02  -0.04
    13   7    -0.00   0.01   0.01     0.02  -0.01  -0.03    -0.02   0.02   0.03
    14   1    -0.01  -0.02  -0.01    -0.05  -0.15  -0.09    -0.05  -0.14  -0.08
    15   1    -0.01   0.04   0.03    -0.06   0.27   0.21    -0.06   0.30   0.23
    16   1     0.02   0.00  -0.02     0.12   0.12  -0.11     0.07   0.10  -0.07
    17   1    -0.05  -0.03   0.07    -0.27  -0.09   0.22    -0.26  -0.07   0.21
    18   1    -0.02   0.00  -0.02     0.12  -0.12   0.11    -0.08   0.11  -0.07
    19   1     0.05  -0.03   0.06    -0.27   0.09  -0.23     0.26  -0.08   0.21
    20   1     0.01  -0.02  -0.01    -0.05   0.15   0.09     0.05  -0.14  -0.08
    21   1     0.01   0.03   0.02    -0.06  -0.27  -0.21     0.06   0.30   0.23
    22   1     0.01  -0.01  -0.01    -0.04   0.04   0.08     0.01   0.00  -0.08
    23   1    -0.01   0.02   0.01     0.15  -0.22  -0.05    -0.18   0.23   0.04
    24   1     0.00   0.00  -0.01     0.00  -0.03   0.08     0.00   0.02  -0.08
    25   1     0.01  -0.04   0.00    -0.11   0.24  -0.05     0.10  -0.24   0.05
    26   1    -0.37  -0.08  -0.01    -0.02  -0.00  -0.01     0.05   0.01  -0.01
    27   1     0.05   0.11  -0.02    -0.03   0.00  -0.00    -0.06  -0.02  -0.00
    28   1    -0.00   0.00  -0.02     0.00   0.03  -0.08    -0.00   0.02  -0.07
    29   1    -0.01  -0.05   0.01    -0.10  -0.24   0.05    -0.09  -0.23   0.04
    30   1    -0.01  -0.01  -0.01    -0.04  -0.04  -0.08    -0.01   0.00  -0.08
    31   1     0.02   0.03   0.01     0.15   0.22   0.05     0.18   0.23   0.04
    32   1     0.23   0.11  -0.09     0.02   0.01  -0.03    -0.04  -0.02   0.01
    33   1    -0.29  -0.19   0.35    -0.01  -0.01   0.01     0.05   0.03  -0.07
    34   1     0.29  -0.19   0.36    -0.02   0.01  -0.02    -0.05   0.03  -0.07
    35   1    -0.23   0.10  -0.09     0.02  -0.02   0.03     0.04  -0.02   0.01
    36   1    -0.05   0.11  -0.02    -0.02  -0.01   0.00     0.06  -0.02  -0.00
    37   1     0.37  -0.08  -0.01    -0.03   0.01   0.01    -0.05   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.4549              1405.0486              1407.6406
 Red. masses --      1.2682                 1.2707                 1.2598
 Frc consts  --      1.4739                 1.4780                 1.4707
 IR Inten    --      0.8605                 0.1242                 2.3214
 RamAct Fr= 1--      1.6692                 2.7148                 0.9881
  Dep-P Fr= 1--      0.7500                 0.7498                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2385                 0.3878                 0.1412
 AlphaG Fr= 1--     -0.0000                -0.0002                 0.0000
 Gamma2 Fr= 1--     -2.1177                 3.0224                 1.0192
 Delta2 Fr= 1--     -0.8314                 1.4656                 0.5995
 Raman1 Fr= 1--       6.677                 10.859                  3.952
 ROA1   Fr= 1--    -229.902                337.052                117.024
 CID1   Fr= 1--     -34.433                 31.038                 29.609
 Raman2 Fr= 1--       2.862                  4.653                  1.694
 ROA2   Fr= 1--     -44.173                 60.813                 19.665
 CID2   Fr= 1--     -15.437                 13.069                 11.610
 Raman3 Fr= 1--       5.723                  9.307                  3.388
 ROA3   Fr= 1--    -229.902                337.052                117.024
 CID3   Fr= 1--     -40.172                 36.216                 34.544
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.08     0.00   0.00  -0.00    -0.01  -0.00   0.02
     2   6    -0.06   0.00  -0.08     0.00  -0.00   0.00     0.01  -0.00   0.02
     3   7    -0.01   0.02   0.03    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.02   0.00  -0.01    -0.02   0.01  -0.01
     6   6     0.01  -0.02  -0.01     0.03  -0.06  -0.02     0.03  -0.06  -0.02
     7   6     0.01   0.00  -0.00     0.07   0.01  -0.02     0.07   0.01  -0.02
     8   7    -0.00   0.00  -0.00    -0.02   0.02  -0.01    -0.02   0.01  -0.01
     9   7     0.01   0.02   0.03    -0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   7     0.01   0.00  -0.00    -0.02  -0.01   0.01     0.02   0.01  -0.01
    11   6    -0.01  -0.02  -0.01     0.03   0.06   0.02    -0.02  -0.06  -0.02
    12   6    -0.01   0.00  -0.00     0.07  -0.01   0.02    -0.07   0.01  -0.02
    13   7     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.01
    14   1    -0.01   0.08   0.06    -0.04   0.29   0.22    -0.03   0.29   0.22
    15   1    -0.02   0.05   0.04    -0.10   0.21   0.15    -0.09   0.18   0.14
    16   1    -0.05  -0.01   0.05    -0.27  -0.11   0.23    -0.26  -0.12   0.23
    17   1    -0.05   0.01   0.02    -0.23  -0.01   0.16    -0.21  -0.01   0.14
    18   1     0.05  -0.01   0.05    -0.27   0.11  -0.23     0.26  -0.11   0.23
    19   1     0.05   0.01   0.02    -0.23   0.01  -0.16     0.20  -0.01   0.14
    20   1     0.01   0.09   0.06    -0.04  -0.29  -0.22     0.03   0.29   0.22
    21   1     0.02   0.05   0.04    -0.10  -0.21  -0.16     0.09   0.18   0.14
    22   1    -0.02   0.03   0.01     0.07  -0.10  -0.04    -0.06   0.08   0.06
    23   1     0.02  -0.04  -0.01    -0.05   0.11   0.04     0.07  -0.13  -0.04
    24   1     0.01  -0.02   0.01    -0.05   0.10  -0.05     0.04  -0.09   0.06
    25   1    -0.01   0.03  -0.01     0.07  -0.09   0.04    -0.08   0.13  -0.04
    26   1     0.17   0.05  -0.04     0.00   0.00   0.00    -0.03  -0.01   0.01
    27   1    -0.15  -0.07   0.01     0.00  -0.00   0.00     0.07   0.02   0.00
    28   1    -0.01  -0.02   0.01    -0.05  -0.10   0.05    -0.04  -0.09   0.06
    29   1     0.01   0.03  -0.01     0.07   0.09  -0.04     0.08   0.13  -0.04
    30   1     0.02   0.03   0.01     0.07   0.10   0.04     0.06   0.08   0.06
    31   1    -0.01  -0.04  -0.01    -0.05  -0.11  -0.04    -0.07  -0.13  -0.04
    32   1    -0.32  -0.21   0.33    -0.01  -0.00   0.01     0.08   0.05  -0.07
    33   1    -0.18  -0.12   0.32    -0.00  -0.01   0.00     0.04   0.03  -0.07
    34   1     0.18  -0.12   0.32    -0.00   0.00   0.00    -0.04   0.03  -0.07
    35   1     0.32  -0.21   0.33    -0.01   0.00  -0.01    -0.08   0.05  -0.07
    36   1     0.15  -0.06   0.01     0.00   0.00  -0.00    -0.07   0.02   0.00
    37   1    -0.17   0.05  -0.04     0.00  -0.00  -0.00     0.03  -0.01   0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.6752              1443.8012              1445.7408
 Red. masses --      1.4425                 1.4527                 1.4508
 Frc consts  --      1.7689                 1.7842                 1.7866
 IR Inten    --      3.1811                 2.6232                 0.9977
 RamAct Fr= 1--      0.3759                 0.7332                 0.6595
  Dep-P Fr= 1--      0.7500                 0.7434                 0.7360
  Dep-U Fr= 1--      0.8571                 0.8528                 0.8479
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0002
 Beta2  Fr= 1--      0.0537                 0.1042                 0.0932
 AlphaG Fr= 1--     -0.0000                -0.0054                 0.0072
 Gamma2 Fr= 1--     -1.7773                 1.0928                -0.5892
 Delta2 Fr= 1--     -1.1636                 0.8719                -0.6758
 Raman1 Fr= 1--       1.504                  2.933                  2.638
 ROA1   Fr= 1--    -207.855                132.806                -78.192
 CID1   Fr= 1--    -138.235                 45.286                -29.642
 Raman2 Fr= 1--       0.644                  1.251                  1.118
 ROA2   Fr= 1--     -33.347                 19.252                 -8.735
 CID2   Fr= 1--     -51.747                 15.395                 -7.811
 Raman3 Fr= 1--       1.289                  2.501                  2.237
 ROA3   Fr= 1--    -207.855                132.806                -78.192
 CID3   Fr= 1--    -161.274                 53.100                -34.959
 RC180  Fr= 1--       0.714                  0.706                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.03   0.03  -0.13    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01     0.03  -0.03   0.13    -0.00  -0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.01  -0.01  -0.04     0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.03   0.01   0.00     0.00  -0.00   0.00    -0.03   0.01  -0.00
     6   6     0.05  -0.06  -0.05    -0.00   0.00  -0.00     0.06  -0.06  -0.05
     7   6    -0.08   0.02   0.05     0.00  -0.00   0.00    -0.08   0.02   0.05
     8   7     0.02  -0.02   0.00    -0.00  -0.00  -0.00     0.02  -0.02   0.00
     9   7     0.00  -0.00  -0.00     0.01   0.01   0.04     0.00  -0.00  -0.00
    10   7     0.03   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.01   0.00
    11   6    -0.05  -0.06  -0.05    -0.00  -0.00   0.00     0.06   0.06   0.05
    12   6     0.08   0.02   0.05    -0.00   0.00  -0.00    -0.08  -0.02  -0.05
    13   7    -0.02  -0.02   0.00     0.00   0.00   0.00     0.02   0.02  -0.00
    14   1    -0.09   0.29   0.27     0.00  -0.02  -0.01    -0.11   0.27   0.28
    15   1    -0.05   0.17   0.09     0.00   0.00   0.00    -0.08   0.17   0.07
    16   1     0.29   0.04  -0.28    -0.00   0.02   0.01     0.29   0.04  -0.29
    17   1     0.18   0.02  -0.08    -0.01   0.02  -0.02     0.19   0.02  -0.08
    18   1    -0.29   0.04  -0.29     0.00  -0.02  -0.01     0.29  -0.04   0.28
    19   1    -0.18   0.02  -0.08    -0.01  -0.02   0.02     0.19  -0.02   0.08
    20   1     0.09   0.29   0.27    -0.00   0.01   0.01    -0.11  -0.26  -0.28
    21   1     0.05   0.17   0.09     0.00  -0.01  -0.00    -0.08  -0.17  -0.07
    22   1    -0.07   0.13   0.02     0.00  -0.00   0.01     0.08  -0.13  -0.03
    23   1    -0.00  -0.11  -0.06     0.02  -0.02  -0.00    -0.01   0.09   0.05
    24   1    -0.07   0.13  -0.02     0.01  -0.02  -0.01     0.07  -0.13   0.03
    25   1     0.08  -0.05   0.06    -0.01  -0.01  -0.01    -0.08   0.05  -0.05
    26   1    -0.02  -0.00   0.00     0.11   0.05  -0.09    -0.02  -0.00   0.00
    27   1     0.01  -0.00   0.00    -0.22  -0.03   0.00     0.00  -0.00  -0.00
    28   1     0.07   0.12  -0.02     0.01   0.02   0.01     0.07   0.13  -0.03
    29   1    -0.08  -0.05   0.06    -0.00   0.01   0.01    -0.08  -0.05   0.05
    30   1     0.07   0.12   0.01    -0.00  -0.00  -0.01     0.08   0.13   0.03
    31   1     0.00  -0.11  -0.06     0.02   0.02   0.00    -0.01  -0.09  -0.05
    32   1     0.00   0.01  -0.02    -0.27  -0.25   0.43     0.02  -0.01   0.02
    33   1    -0.00  -0.01  -0.02    -0.17  -0.05   0.23    -0.00   0.01   0.02
    34   1     0.00  -0.01  -0.02    -0.16   0.04  -0.23    -0.00  -0.01  -0.02
    35   1    -0.01   0.02  -0.03    -0.27   0.25  -0.43     0.02   0.01  -0.02
    36   1    -0.01   0.00   0.00    -0.22   0.03  -0.00     0.00   0.00   0.00
    37   1     0.02  -0.00   0.00     0.11  -0.05   0.09    -0.02   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8309              1502.9443              1503.6487
 Red. masses --      1.0811                 1.0804                 1.0791
 Frc consts  --      1.4385                 1.4379                 1.4374
 IR Inten    --     27.1698                27.3436                22.4296
 RamAct Fr= 1--      5.8211                 7.1679                 2.8854
  Dep-P Fr= 1--      0.4158                 0.5912                 0.7479
  Dep-U Fr= 1--      0.5874                 0.7431                 0.8557
 Alpha2 Fr= 1--      0.0407                 0.0212                 0.0001
 Beta2  Fr= 1--      0.5699                 0.8878                 0.4115
 AlphaG Fr= 1--      0.0508                 0.0246                 0.0007
 Gamma2 Fr= 1--     -2.0306                -1.9509                -1.0574
 Delta2 Fr= 1--     -0.8800                -0.5586                -0.9816
 Raman1 Fr= 1--      23.285                 28.671                 11.541
 ROA1   Fr= 1--    -223.096               -205.166               -132.925
 CID1   Fr= 1--      -9.581                 -7.156                -11.517
 Raman2 Fr= 1--       6.839                 10.653                  4.938
 ROA2   Fr= 1--     -41.694                -42.353                -17.526
 CID2   Fr= 1--      -6.097                 -3.976                 -3.549
 Raman3 Fr= 1--      13.678                 21.306                  9.877
 ROA3   Fr= 1--    -223.096               -205.166               -132.925
 CID3   Fr= 1--     -16.311                 -9.629                -13.459
 RC180  Fr= 1--       0.175                  0.486                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.04     0.01   0.01   0.02    -0.01  -0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.05   0.03   0.05    -0.00   0.00   0.00
     3   7    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.01   0.03  -0.00    -0.00   0.02  -0.00     0.02  -0.05   0.01
     8   7     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
     9   7    -0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.02  -0.00  -0.00
    12   6    -0.00  -0.02   0.00    -0.01  -0.02   0.00    -0.01  -0.05   0.01
    13   7     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    14   1     0.08   0.05  -0.06     0.07   0.04  -0.05    -0.11  -0.05   0.09
    15   1     0.10  -0.01   0.07     0.08  -0.02   0.05    -0.12   0.02  -0.08
    16   1    -0.05  -0.23  -0.10    -0.05  -0.17  -0.06     0.11   0.45   0.19
    17   1     0.13  -0.16   0.15     0.09  -0.12   0.11    -0.26   0.32  -0.29
    18   1    -0.05   0.18   0.07    -0.04   0.17   0.08    -0.10   0.39   0.16
    19   1     0.10   0.13  -0.12     0.10   0.12  -0.11     0.23   0.28  -0.26
    20   1     0.08  -0.05   0.06     0.07  -0.05   0.05     0.11  -0.06   0.09
    21   1     0.09   0.02  -0.06     0.08   0.01  -0.06     0.12   0.02  -0.08
    22   1    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.02   0.01   0.03
    23   1     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    24   1    -0.01   0.04  -0.01     0.00  -0.01   0.00    -0.01   0.01  -0.00
    25   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.02   0.00  -0.01     0.00   0.00  -0.01    -0.03  -0.00  -0.01
    27   1     0.01   0.01  -0.00     0.01   0.03  -0.00     0.00   0.02  -0.00
    28   1    -0.00  -0.00  -0.00    -0.01  -0.04   0.01     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    30   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.03
    31   1     0.01   0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    32   1     0.52  -0.17   0.23    -0.13   0.07  -0.11     0.07  -0.01   0.01
    33   1     0.17   0.49   0.32    -0.06  -0.15  -0.10     0.02   0.05   0.03
    34   1    -0.01  -0.00  -0.00     0.18  -0.49  -0.32     0.01  -0.03  -0.02
    35   1     0.03  -0.02   0.04     0.52   0.18  -0.24     0.02   0.01  -0.02
    36   1     0.02  -0.03   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    37   1     0.00   0.00   0.02     0.02  -0.00   0.01     0.03  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.9733              1504.7246              1505.2980
 Red. masses --      1.0797                 1.0786                 1.0844
 Frc consts  --      1.4389                 1.4389                 1.4477
 IR Inten    --      6.6527                11.7075                 1.3624
 RamAct Fr= 1--     13.6863                10.8799                 1.6522
  Dep-P Fr= 1--      0.6894                 0.3189                 0.7472
  Dep-U Fr= 1--      0.8161                 0.4835                 0.8553
 Alpha2 Fr= 1--      0.0145                 0.1054                 0.0001
 Beta2  Fr= 1--      1.8617                 0.8768                 0.2355
 AlphaG Fr= 1--      0.0461                -0.1545                -0.0001
 Gamma2 Fr= 1--      4.1405                -1.8644                 3.1647
 Delta2 Fr= 1--      0.4654                -0.2903                 1.2389
 Raman1 Fr= 1--      54.745                 43.519                  6.609
 ROA1   Fr= 1--     412.383               -188.269                343.460
 CID1   Fr= 1--       7.533                 -4.326                 51.969
 Raman2 Fr= 1--      22.340                 10.522                  2.826
 ROA2   Fr= 1--      95.649                -42.422                 66.042
 CID2   Fr= 1--       4.282                 -4.032                 23.366
 Raman3 Fr= 1--      44.680                 21.043                  5.653
 ROA3   Fr= 1--     412.383               -188.269                343.460
 CID3   Fr= 1--       9.230                 -8.947                 60.758
 RC180  Fr= 1--       0.632                 -0.033                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.03   0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
     6   6     0.02   0.00   0.00    -0.04  -0.02  -0.01    -0.06  -0.01  -0.01
     7   6     0.01  -0.03   0.00    -0.00  -0.02   0.01     0.00  -0.02   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.00    -0.04   0.02   0.01     0.05  -0.01  -0.01
    12   6     0.02   0.04  -0.00     0.00   0.03  -0.01    -0.00  -0.02   0.00
    13   7    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.12  -0.09   0.08     0.27   0.29  -0.15     0.32   0.32  -0.19
    15   1    -0.14   0.01  -0.10     0.34  -0.05   0.24     0.40  -0.07   0.28
    16   1     0.05   0.24   0.11     0.09   0.20   0.05     0.07   0.13   0.02
    17   1    -0.15   0.17  -0.15    -0.11   0.13  -0.13    -0.08   0.08  -0.08
    18   1     0.07  -0.32  -0.15     0.10  -0.24  -0.06    -0.07   0.14   0.03
    19   1    -0.19  -0.23   0.21    -0.13  -0.16   0.15     0.08   0.09  -0.08
    20   1    -0.15   0.12  -0.11     0.28  -0.31   0.15    -0.29   0.30  -0.18
    21   1    -0.18  -0.02   0.13     0.36   0.05  -0.25    -0.37  -0.06   0.26
    22   1    -0.00   0.01  -0.01     0.03  -0.03  -0.04     0.01  -0.01   0.01
    23   1    -0.01   0.00  -0.00    -0.03  -0.01  -0.01     0.01   0.00   0.00
    24   1    -0.00   0.02  -0.01     0.00  -0.02   0.03     0.00   0.02  -0.03
    25   1     0.00  -0.00  -0.00     0.01   0.02   0.01    -0.02  -0.01  -0.01
    26   1    -0.02  -0.00  -0.03    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    27   1     0.02   0.04  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    28   1    -0.00  -0.02   0.01     0.00   0.02  -0.03    -0.00   0.02  -0.04
    29   1     0.00   0.00   0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.01
    30   1    -0.00  -0.01   0.01     0.03   0.03   0.03    -0.01  -0.01   0.01
    31   1    -0.00  -0.00   0.00    -0.02   0.01   0.01    -0.01   0.00   0.00
    32   1     0.29  -0.06   0.08     0.03  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.08   0.24   0.16     0.01   0.02   0.01     0.00  -0.00  -0.00
    34   1     0.10  -0.28  -0.18     0.01  -0.02  -0.01    -0.00   0.00   0.00
    35   1     0.33   0.08  -0.10     0.03   0.00  -0.00    -0.01   0.00  -0.00
    36   1     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00   0.01  -0.00
    37   1    -0.02   0.00   0.03    -0.02   0.00   0.01     0.01  -0.00  -0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1641.1493              1654.4291              1656.5217
 Red. masses --      1.0766                 1.0781                 1.0815
 Frc consts  --      1.7084                 1.7386                 1.7485
 IR Inten    --    167.4825                 9.3212                16.6771
 RamAct Fr= 1--      0.0096                 5.7864                 4.8949
  Dep-P Fr= 1--      0.7493                 0.7435                 0.7500
  Dep-U Fr= 1--      0.8567                 0.8529                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      0.0014                 0.8225                 0.6993
 AlphaG Fr= 1--      0.0000                -0.0057                -0.0000
 Gamma2 Fr= 1--     -0.0550                 0.9081                 2.9414
 Delta2 Fr= 1--     -0.0445                 2.7701                 3.3923
 Raman1 Fr= 1--       0.038                 23.146                 19.580
 ROA1   Fr= 1--      -6.702                175.824                390.931
 CID1   Fr= 1--    -174.597                  7.596                 19.966
 Raman2 Fr= 1--       0.016                  9.871                  8.391
 ROA2   Fr= 1--      -0.963                 -0.366                 43.456
 CID2   Fr= 1--     -58.552                 -0.037                  5.179
 Raman3 Fr= 1--       0.033                 19.741                 16.783
 ROA3   Fr= 1--      -6.702                175.824                390.931
 CID3   Fr= 1--    -203.801                  8.907                 23.294
 RC180  Fr= 1--       0.713                  0.706                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.01  -0.02   0.02    -0.01   0.03  -0.02     0.01  -0.01   0.01
     4  45     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.01   0.02    -0.00   0.01   0.02     0.00  -0.02  -0.04
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     8   7    -0.01  -0.00   0.02    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     9   7    -0.01  -0.02   0.02    -0.01  -0.03   0.02    -0.01  -0.01   0.01
    10   7     0.00   0.01   0.02    -0.00  -0.01  -0.02    -0.00  -0.02  -0.04
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
    13   7     0.01  -0.00   0.02    -0.01   0.00  -0.02     0.01  -0.00   0.02
    14   1    -0.01  -0.01   0.01     0.00   0.01   0.01    -0.01  -0.00   0.01
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.00    -0.01   0.03   0.00
    16   1    -0.01  -0.01   0.01     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    17   1     0.01   0.01  -0.01     0.01   0.01  -0.00     0.03  -0.01   0.01
    18   1     0.01  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02  -0.02
    19   1    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.03  -0.01   0.01
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01     0.01  -0.00   0.01
    21   1     0.02  -0.01  -0.01    -0.00   0.01   0.00     0.01   0.03   0.00
    22   1     0.08   0.02  -0.24    -0.08  -0.01   0.25    -0.14  -0.01   0.39
    23   1    -0.15  -0.18  -0.13     0.14   0.17   0.13     0.24   0.27   0.20
    24   1     0.06   0.06  -0.26    -0.04  -0.06   0.20     0.04   0.05  -0.18
    25   1    -0.24  -0.05  -0.14     0.18   0.04   0.11    -0.15  -0.05  -0.09
    26   1     0.10   0.05  -0.31     0.10   0.06  -0.35     0.06   0.03  -0.16
    27   1     0.03   0.32  -0.03     0.04   0.38  -0.03     0.02   0.17  -0.01
    28   1    -0.06   0.06  -0.26    -0.04   0.06  -0.20    -0.04   0.05  -0.18
    29   1     0.24  -0.04  -0.14     0.19  -0.04  -0.11     0.15  -0.05  -0.09
    30   1    -0.08   0.02  -0.24    -0.08   0.01  -0.23     0.14  -0.01   0.41
    31   1     0.15  -0.18  -0.13     0.13  -0.16  -0.12    -0.25   0.28   0.21
    32   1    -0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.01  -0.00   0.00
    33   1     0.02   0.01  -0.00     0.01  -0.01  -0.03     0.01  -0.00   0.00
    34   1    -0.02   0.01  -0.00     0.01   0.01   0.03    -0.01  -0.00  -0.00
    35   1     0.01  -0.00   0.00    -0.02  -0.01   0.01     0.01  -0.00   0.00
    36   1    -0.03   0.32  -0.03     0.04  -0.37   0.03    -0.03   0.19  -0.02
    37   1    -0.10   0.05  -0.30     0.10  -0.05   0.34    -0.07   0.03  -0.18
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.8911              1668.1543              1671.0253
 Red. masses --      1.0776                 1.0775                 1.0750
 Frc consts  --      1.7493                 1.7666                 1.7685
 IR Inten    --      0.9984                 2.2504                39.5001
 RamAct Fr= 1--     11.6190                 4.1243                 1.8293
  Dep-P Fr= 1--      0.7468                 0.7464                 0.7500
  Dep-U Fr= 1--      0.8551                 0.8548                 0.8571
 Alpha2 Fr= 1--      0.0006                 0.0003                 0.0000
 Beta2  Fr= 1--      1.6558                 0.5876                 0.2613
 AlphaG Fr= 1--     -0.0084                -0.0002                -0.0000
 Gamma2 Fr= 1--    -14.4923                 5.5498                 2.7568
 Delta2 Fr= 1--     -5.8671                 1.5147                 0.5268
 Raman1 Fr= 1--      46.476                 16.497                  7.317
 ROA1   Fr= 1--   -1579.005                581.254                281.513
 CID1   Fr= 1--     -33.975                 35.234                 38.472
 Raman2 Fr= 1--      19.870                  7.051                  3.136
 ROA2   Fr= 1--    -300.878                121.079                 61.950
 CID2   Fr= 1--     -15.142                 17.173                 19.755
 Raman3 Fr= 1--      39.740                 14.101                  6.272
 ROA3   Fr= 1--   -1579.005                581.254                281.513
 CID3   Fr= 1--     -39.733                 41.220                 44.884
 RC180  Fr= 1--       0.710                  0.710                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.00  -0.01   0.00    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.01  -0.02     0.00  -0.02  -0.03     0.00  -0.00  -0.00
     6   6     0.01  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     7   6    -0.00   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.01
     8   7    -0.02  -0.01   0.04     0.01   0.00  -0.01     0.02   0.00  -0.03
     9   7     0.00   0.01  -0.00    -0.01  -0.02   0.02    -0.01  -0.02   0.02
    10   7     0.00   0.01   0.02     0.00   0.02   0.03    -0.00  -0.00  -0.00
    11   6     0.01   0.00   0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    12   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
    13   7    -0.02   0.01  -0.04     0.01  -0.00   0.01    -0.02   0.00  -0.03
    14   1    -0.02  -0.02   0.02    -0.01  -0.02  -0.00     0.01   0.01  -0.01
    15   1    -0.03   0.02  -0.01    -0.01   0.02   0.00     0.02  -0.01   0.01
    16   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01     0.01   0.01  -0.00
    17   1     0.03   0.00   0.00     0.01  -0.02   0.01    -0.02  -0.01   0.01
    18   1    -0.01   0.02   0.01    -0.00   0.01   0.01    -0.01   0.01  -0.00
    19   1     0.03  -0.00  -0.00     0.01   0.02  -0.01     0.02  -0.01   0.01
    20   1    -0.02   0.02  -0.02    -0.01   0.02   0.00    -0.01   0.00  -0.01
    21   1    -0.03  -0.02   0.01    -0.01  -0.02  -0.00    -0.02  -0.01   0.01
    22   1     0.07   0.02  -0.24     0.11   0.01  -0.33     0.00  -0.01   0.02
    23   1    -0.14  -0.16  -0.12    -0.20  -0.23  -0.17     0.02   0.02   0.02
    24   1    -0.09  -0.10   0.40     0.03   0.02  -0.14    -0.08  -0.09   0.35
    25   1     0.36   0.07   0.21    -0.12  -0.03  -0.07     0.31   0.06   0.19
    26   1    -0.01  -0.01   0.08     0.09   0.05  -0.30     0.09   0.05  -0.31
    27   1    -0.01  -0.08   0.01     0.04   0.32  -0.03     0.03   0.33  -0.03
    28   1    -0.09   0.09  -0.40     0.04  -0.02   0.15     0.08  -0.09   0.35
    29   1     0.36  -0.07  -0.21    -0.13   0.03   0.08    -0.31   0.06   0.18
    30   1     0.07  -0.02   0.23     0.11  -0.01   0.34    -0.00  -0.01   0.01
    31   1    -0.14   0.16   0.12    -0.20   0.23   0.17    -0.01   0.01   0.01
    32   1     0.01  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.01   0.01
    33   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.02   0.01   0.00
    34   1    -0.00  -0.01  -0.01     0.01   0.02   0.03    -0.02   0.01   0.00
    35   1     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.00  -0.01   0.01
    36   1    -0.01   0.07  -0.01     0.04  -0.31   0.03    -0.03   0.33  -0.03
    37   1    -0.01   0.01  -0.08     0.09  -0.05   0.29    -0.09   0.05  -0.32
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.1632              3069.2449              3071.5029
 Red. masses --      1.0634                 1.0634                 1.0631
 Frc consts  --      5.9019                 5.9023                 5.9089
 IR Inten    --      3.9519                 7.1829                 5.7899
 RamAct Fr= 1--    338.6444                98.2468               198.5661
  Dep-P Fr= 1--      0.0208                 0.0916                 0.0392
  Dep-U Fr= 1--      0.0408                 0.1678                 0.0754
 Alpha2 Fr= 1--      7.1673                 1.7558                 4.0245
 Beta2  Fr= 1--      2.3022                 2.7480                 2.4945
 AlphaG Fr= 1--     -0.8524                -0.2113                 0.2275
 Gamma2 Fr= 1--    -20.8456                12.9457                 8.3776
 Delta2 Fr= 1--    -12.7100                10.5387                 6.5021
 Raman1 Fr= 1--    1354.578                392.987                794.264
 ROA1   Fr= 1--   -2407.900               1580.022               1012.318
 CID1   Fr= 1--      -1.778                  4.021                  1.275
 Raman2 Fr= 1--      27.626                 32.976                 29.935
 ROA2   Fr= 1--    -398.615                226.387                149.046
 CID2   Fr= 1--     -14.429                  6.865                  4.979
 Raman3 Fr= 1--      55.252                 65.952                 59.869
 ROA3   Fr= 1--   -2407.900               1580.022               1012.318
 CID3   Fr= 1--     -43.581                 23.957                 16.909
 RC180  Fr= 1--      -0.918                 -0.664                 -0.849
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.03   0.03
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.04  -0.00   0.01     0.01  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03   0.05  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.04  -0.00   0.01     0.00  -0.00  -0.00
    12   6    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.00  -0.00   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.31   0.16  -0.32    -0.10   0.05  -0.10    -0.01   0.01  -0.02
    15   1    -0.12  -0.16   0.17    -0.04  -0.05   0.05    -0.01  -0.01   0.01
    16   1     0.42  -0.24   0.44     0.14  -0.08   0.15     0.00  -0.00   0.01
    17   1    -0.13  -0.30  -0.26    -0.05  -0.11  -0.09    -0.00  -0.00  -0.00
    18   1     0.14   0.08  -0.15    -0.41  -0.24   0.44     0.00   0.00  -0.00
    19   1    -0.04   0.10   0.08     0.13  -0.30  -0.26    -0.00   0.00   0.00
    20   1    -0.11  -0.06   0.11     0.31   0.16  -0.32    -0.01  -0.01   0.02
    21   1    -0.04   0.06  -0.06     0.12  -0.17   0.17    -0.01   0.01  -0.01
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    28   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.01   0.01    -0.00  -0.01  -0.01    -0.01  -0.52  -0.27
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.29   0.21  -0.11
    34   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.30  -0.22   0.11
    35   1     0.00  -0.02  -0.01     0.00   0.01   0.00    -0.01   0.53   0.27
    36   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3075.0342              3075.3234              3076.4682
 Red. masses --      1.0604                 1.0605                 1.0604
 Frc consts  --      5.9075                 5.9094                 5.9133
 IR Inten    --      0.2153                17.0196                 9.0921
 RamAct Fr= 1--     70.6250                18.0487                42.8665
  Dep-P Fr= 1--      0.5220                 0.7445                 0.7495
  Dep-U Fr= 1--      0.6859                 0.8535                 0.8568
 Alpha2 Fr= 1--      0.3135                 0.0017                 0.0004
 Beta2  Fr= 1--      8.0742                 2.5676                 6.1214
 AlphaG Fr= 1--     -0.0840                -0.0004                -0.0000
 Gamma2 Fr= 1--      8.5883                 9.8544                -8.4790
 Delta2 Fr= 1--      6.3679                 4.7502                -5.1107
 Raman1 Fr= 1--     282.500                 72.195                171.466
 ROA1   Fr= 1--    1028.244               1098.031               -977.530
 CID1   Fr= 1--       3.640                 15.209                 -5.701
 Raman2 Fr= 1--      96.890                 30.811                 73.457
 ROA2   Fr= 1--     155.175                198.504               -162.611
 CID2   Fr= 1--       1.602                  6.443                 -2.214
 Raman3 Fr= 1--     193.780                 61.622                146.914
 ROA3   Fr= 1--    1028.244               1098.031               -977.530
 CID3   Fr= 1--       5.306                 17.819                 -6.654
 RC180  Fr= 1--       0.372                  0.707                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.04   0.01   0.00    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.03   0.00    -0.01   0.03   0.00    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.04  -0.01  -0.00     0.04  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.01   0.03  -0.00     0.01   0.03  -0.00     0.00   0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.27   0.14  -0.27     0.28  -0.15   0.29     0.00  -0.00   0.00
    15   1    -0.17  -0.24   0.24     0.19   0.26  -0.26     0.00   0.00  -0.00
    16   1    -0.17   0.10  -0.18     0.18  -0.10   0.18     0.00  -0.00   0.00
    17   1     0.09   0.21   0.17    -0.10  -0.22  -0.18    -0.00  -0.00  -0.00
    18   1    -0.19  -0.11   0.20    -0.17  -0.10   0.18    -0.00  -0.00   0.00
    19   1     0.10  -0.22  -0.19     0.09  -0.21  -0.18     0.00  -0.00  -0.00
    20   1    -0.28  -0.15   0.28    -0.27  -0.14   0.27    -0.00  -0.00   0.00
    21   1    -0.18   0.25  -0.25    -0.18   0.24  -0.24    -0.00   0.00  -0.00
    22   1     0.01   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    28   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00   0.01   0.01    -0.00  -0.01  -0.00     0.00   0.44   0.23
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00     0.40  -0.28   0.15
    34   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.39  -0.28   0.15
    35   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.43   0.22
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.4483              3115.5192              3116.3548
 Red. masses --      1.1072                 1.1072                 1.1077
 Frc consts  --      6.3317                 6.3320                 6.3384
 IR Inten    --     12.4873                 4.6093                 6.7539
 RamAct Fr= 1--    125.3135               148.1157               135.0319
  Dep-P Fr= 1--      0.7485                 0.2384                 0.3520
  Dep-U Fr= 1--      0.8561                 0.3850                 0.5207
 Alpha2 Fr= 1--      0.0033                 1.8130                 1.1778
 Beta2  Fr= 1--     17.8809                 9.5044                11.7186
 AlphaG Fr= 1--      0.0006                 0.3797                -0.4954
 Gamma2 Fr= 1--    -54.8473                 2.0289                32.0693
 Delta2 Fr= 1--    -39.9510                 3.4453                10.3130
 Raman1 Fr= 1--     501.254                592.463                540.128
 ROA1   Fr= 1--   -6543.771                305.026               3408.666
 CID1   Fr= 1--     -13.055                  0.515                  6.311
 Raman2 Fr= 1--     214.571                114.053                140.623
 ROA2   Fr= 1--    -996.727                 21.131                687.158
 CID2   Fr= 1--      -4.645                  0.185                  4.887
 Raman3 Fr= 1--     429.141                228.106                281.247
 ROA3   Fr= 1--   -6543.771                305.026               3408.666
 CID3   Fr= 1--     -15.249                  1.337                 12.120
 RC180  Fr= 1--       0.712                 -0.230                  0.041
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.05  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.04  -0.05   0.00
     3   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.04     0.00   0.03  -0.03     0.00   0.00  -0.00
     7   6    -0.03  -0.02  -0.04     0.02   0.02   0.04     0.00   0.00   0.00
     8   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.03   0.03     0.00  -0.03   0.04     0.00  -0.00   0.00
    12   6     0.02  -0.02  -0.04     0.03  -0.02  -0.04     0.00  -0.00  -0.00
    13   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.17   0.08  -0.16     0.15  -0.08   0.15     0.01  -0.01   0.01
    15   1     0.20   0.26  -0.26    -0.18  -0.24   0.24    -0.02  -0.02   0.02
    16   1     0.18  -0.11   0.19    -0.16   0.10  -0.17    -0.01   0.01  -0.02
    17   1     0.14   0.35   0.28    -0.13  -0.32  -0.26    -0.01  -0.03  -0.02
    18   1    -0.16  -0.10   0.17    -0.18  -0.11   0.18    -0.01  -0.01   0.01
    19   1    -0.13   0.32   0.26    -0.14   0.34   0.28    -0.01   0.03   0.02
    20   1     0.15   0.08  -0.15     0.17   0.09  -0.17     0.01   0.01  -0.01
    21   1    -0.19   0.24  -0.24    -0.20   0.26  -0.26    -0.02   0.02  -0.02
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.02   0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   1    -0.01   0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.01  -0.33  -0.17
    33   1     0.00  -0.00   0.00    -0.04   0.03  -0.02     0.47  -0.31   0.19
    34   1     0.00   0.00  -0.00    -0.04  -0.03   0.02     0.47   0.32  -0.19
    35   1     0.00   0.00   0.00     0.00  -0.03  -0.02    -0.01   0.33   0.18
    36   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.7816              3125.7933              3127.1169
 Red. masses --      1.1101                 1.1102                 1.1100
 Frc consts  --      6.3905                 6.3908                 6.3954
 IR Inten    --      3.6084                 5.2895                 3.1284
 RamAct Fr= 1--     28.2909                69.8204                50.2673
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0000
 Beta2  Fr= 1--      4.0415                 9.9703                 7.1810
 AlphaG Fr= 1--      0.0000                 0.0016                -0.0000
 Gamma2 Fr= 1--     19.0965                37.9210               -30.9157
 Delta2 Fr= 1--      5.0249                 6.5161                -4.0222
 Raman1 Fr= 1--     113.164                279.282                201.069
 ROA1   Fr= 1--    1994.062               3848.932              -3096.622
 CID1   Fr= 1--      17.621                 13.782                -15.401
 Raman2 Fr= 1--      48.498                119.644                 86.172
 ROA2   Fr= 1--     418.117                857.975               -709.800
 CID2   Fr= 1--       8.621                  7.171                 -8.237
 Raman3 Fr= 1--      96.996                239.288                172.345
 ROA3   Fr= 1--    1994.062               3848.932              -3096.622
 CID3   Fr= 1--      20.558                 16.085                -17.968
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.06  -0.01
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.01
     3   7    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.03    -0.01   0.04  -0.05    -0.00   0.00  -0.00
     7   6     0.02   0.01   0.03    -0.03  -0.01  -0.04    -0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.01  -0.04   0.05    -0.00  -0.02   0.03     0.00   0.00  -0.00
    12   6    -0.03   0.01   0.04    -0.02   0.01   0.03     0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.19   0.10  -0.19     0.30  -0.15   0.29     0.01  -0.01   0.01
    15   1     0.14   0.18  -0.18    -0.21  -0.27   0.27    -0.01  -0.01   0.01
    16   1    -0.16   0.10  -0.17     0.25  -0.15   0.26     0.01  -0.01   0.01
    17   1    -0.07  -0.19  -0.15     0.12   0.29   0.24     0.00   0.01   0.01
    18   1     0.25   0.15  -0.26     0.17   0.10  -0.17    -0.01  -0.01   0.01
    19   1     0.12  -0.29  -0.24     0.08  -0.19  -0.16    -0.00   0.01   0.01
    20   1     0.29   0.15  -0.29     0.19   0.10  -0.19    -0.01  -0.01   0.01
    21   1    -0.21   0.27  -0.27    -0.14   0.18  -0.18     0.01  -0.01   0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.01  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.01     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.01
    27   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.01   0.00   0.01    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    32   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.01   0.45   0.24
    33   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.38   0.26  -0.16
    34   1     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.38   0.26  -0.15
    35   1    -0.00   0.02   0.01     0.00  -0.00  -0.00    -0.01   0.45   0.24
    36   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.8252              3431.9629              3432.0150
 Red. masses --      1.0525                 1.0525                 1.0524
 Frc consts  --      7.3031                 7.3042                 7.3035
 IR Inten    --     51.1390               108.4899                92.3411
 RamAct Fr= 1--      5.4413                 1.7568                 2.3999
  Dep-P Fr= 1--      0.7160                 0.7207                 0.7276
  Dep-U Fr= 1--      0.8345                 0.8377                 0.8424
 Alpha2 Fr= 1--      0.0032                 0.0009                 0.0009
 Beta2  Fr= 1--      0.7568                 0.2453                 0.3369
 AlphaG Fr= 1--      0.0067                 0.0137                 0.0161
 Gamma2 Fr= 1--     17.4882                 4.8443                 7.0701
 Delta2 Fr= 1--     -0.0157                -0.2375                -0.3262
 Raman1 Fr= 1--      21.765                  7.027                  9.600
 ROA1   Fr= 1--    1678.365                457.451                668.290
 CID1   Fr= 1--      77.112                 65.096                 69.615
 Raman2 Fr= 1--       9.082                  2.943                  4.043
 ROA2   Fr= 1--     419.843                118.162                172.291
 CID2   Fr= 1--      46.229                 40.144                 42.612
 Raman3 Fr= 1--      18.164                  5.887                  8.086
 ROA3   Fr= 1--    1678.365                457.451                668.290
 CID3   Fr= 1--      92.403                 77.707                 82.644
 RC180  Fr= 1--       0.669                  0.675                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   7     0.00  -0.02   0.02     0.00  -0.02   0.02    -0.00   0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.02    -0.01   0.00   0.03     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7     0.01  -0.00  -0.03    -0.01   0.00   0.02    -0.00   0.00   0.02
     9   7    -0.00  -0.02   0.01     0.00   0.01  -0.01    -0.00  -0.03   0.03
    10   7     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.01   0.00   0.03     0.00   0.00   0.01
    14   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00  -0.01
    21   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    22   1    -0.07  -0.06  -0.02     0.02   0.01   0.00    -0.31  -0.24  -0.09
    23   1     0.05   0.04  -0.10    -0.01  -0.01   0.02     0.21   0.17  -0.42
    24   1     0.27   0.11   0.07    -0.27  -0.11  -0.07    -0.14  -0.06  -0.04
    25   1    -0.19  -0.06   0.30     0.19   0.06  -0.31     0.09   0.03  -0.15
    26   1    -0.03   0.26   0.05     0.01  -0.09  -0.02    -0.05   0.46   0.09
    27   1     0.04  -0.04  -0.25    -0.01   0.02   0.09     0.06  -0.07  -0.44
    28   1    -0.27   0.11   0.07     0.23  -0.09  -0.06     0.16  -0.06  -0.04
    29   1     0.19  -0.06   0.30    -0.16   0.05  -0.25    -0.11   0.04  -0.18
    30   1     0.14  -0.11  -0.04     0.27  -0.21  -0.07    -0.04   0.03   0.01
    31   1    -0.09   0.08  -0.19    -0.18   0.14  -0.36     0.03  -0.02   0.05
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    36   1    -0.05  -0.06  -0.38    -0.05  -0.06  -0.36     0.01   0.02   0.09
    37   1     0.04   0.40   0.07     0.04   0.38   0.07    -0.01  -0.09  -0.02
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.0245              3433.1473              3434.1356
 Red. masses --      1.0529                 1.0527                 1.0528
 Frc consts  --      7.3112                 7.3105                 7.3150
 IR Inten    --      4.8974                 1.7810                 0.0964
 RamAct Fr= 1--     19.1069                11.6361               412.2508
  Dep-P Fr= 1--      0.6418                 0.7151                 0.0143
  Dep-U Fr= 1--      0.7819                 0.8339                 0.0283
 Alpha2 Fr= 1--      0.0373                 0.0070                 8.8588
 Beta2  Fr= 1--      2.4898                 1.6172                 1.9436
 AlphaG Fr= 1--     -0.0693                -0.0048                -0.3891
 Gamma2 Fr= 1--     -6.8057                -5.4965               -14.9245
 Delta2 Fr= 1--     -1.3471                 0.5110                -3.4467
 Raman1 Fr= 1--      76.428                 46.544               1649.003
 ROA1   Fr= 1--    -696.454               -511.310              -1543.045
 CID1   Fr= 1--      -9.113                -10.985                 -0.936
 Raman2 Fr= 1--      29.878                 19.406                 23.323
 ROA2   Fr= 1--    -152.560               -136.003               -330.615
 CID2   Fr= 1--      -5.106                 -7.008                -14.176
 Raman3 Fr= 1--      59.755                 38.812                 46.646
 ROA3   Fr= 1--    -696.454               -511.310              -1543.045
 CID3   Fr= 1--     -11.655                -13.174                -33.080
 RC180  Fr= 1--       0.564                  0.668                 -0.943
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00   0.01  -0.01     0.00  -0.02   0.02    -0.00   0.02  -0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.02     0.01  -0.00  -0.03    -0.00   0.00   0.02
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   7    -0.01   0.00   0.03    -0.00   0.00   0.01     0.00  -0.00  -0.02
     9   7    -0.00  -0.01   0.01    -0.00  -0.02   0.02    -0.00  -0.02   0.02
    10   7    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03    -0.00  -0.00  -0.03
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.00   0.00   0.00     0.00   0.00   0.02
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1     0.11   0.09   0.03     0.27   0.21   0.07     0.21   0.17   0.06
    23   1    -0.07  -0.06   0.15    -0.18  -0.15   0.37    -0.14  -0.12   0.29
    24   1     0.34   0.14   0.09    -0.05  -0.02  -0.01    -0.21  -0.09  -0.05
    25   1    -0.24  -0.08   0.39     0.03   0.01  -0.05     0.14   0.05  -0.23
    26   1    -0.01   0.13   0.02    -0.03   0.30   0.06    -0.03   0.31   0.06
    27   1     0.02  -0.02  -0.12     0.04  -0.05  -0.30     0.04  -0.05  -0.29
    28   1     0.34  -0.14  -0.08     0.13  -0.05  -0.03    -0.21   0.09   0.05
    29   1    -0.24   0.08  -0.38    -0.09   0.03  -0.14     0.15  -0.05   0.24
    30   1     0.18  -0.14  -0.05    -0.26   0.20   0.07     0.21  -0.16  -0.06
    31   1    -0.12   0.09  -0.24     0.17  -0.14   0.35    -0.14   0.11  -0.28
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.02   0.03   0.17    -0.04  -0.04  -0.26     0.04   0.04   0.27
    37   1    -0.02  -0.18  -0.03     0.03   0.27   0.05    -0.03  -0.29  -0.05
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6467              3480.8920              3482.1400
 Red. masses --      1.0925                 1.0926                 1.0930
 Frc consts  --      7.7981                 7.8001                 7.8081
 IR Inten    --     21.1383                42.2954                22.3241
 RamAct Fr= 1--     24.6198                22.0167                28.8657
  Dep-P Fr= 1--      0.7447                 0.5745                 0.6921
  Dep-U Fr= 1--      0.8537                 0.7297                 0.8181
 Alpha2 Fr= 1--      0.0022                 0.0727                 0.0293
 Beta2  Fr= 1--      3.5029                 2.6777                 3.9356
 AlphaG Fr= 1--      0.0111                 0.3295                -0.1392
 Gamma2 Fr= 1--    -37.2404                37.5392               -28.6790
 Delta2 Fr= 1--    -14.3169                19.6653               -12.1409
 Raman1 Fr= 1--      98.479                 88.067                115.463
 ROA1   Fr= 1--   -4033.222               4233.049              -3141.696
 CID1   Fr= 1--     -40.955                 48.066                -27.210
 Raman2 Fr= 1--      42.035                 32.132                 47.227
 ROA2   Fr= 1--    -779.236                743.618               -591.170
 CID2   Fr= 1--     -18.538                 23.142                -12.518
 Raman3 Fr= 1--      84.069                 64.264                 94.455
 ROA3   Fr= 1--   -4033.222               4233.049              -3141.696
 CID3   Fr= 1--     -47.975                 65.869                -33.261
 RC180  Fr= 1--       0.707                  0.459                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.01  -0.01     0.00   0.01   0.00    -0.01  -0.05  -0.05
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   7     0.04  -0.01   0.01    -0.06   0.02  -0.02    -0.01   0.00  -0.00
     9   7     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.02   0.02
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.06  -0.02   0.02    -0.04  -0.02   0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1    -0.01   0.00  -0.01     0.01  -0.01   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01   0.01  -0.01     0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.04   0.03   0.01    -0.05  -0.04  -0.02     0.21   0.16   0.07
    23   1     0.01   0.01  -0.03    -0.02  -0.01   0.04     0.08   0.07  -0.18
    24   1     0.55   0.23   0.17     0.39   0.16   0.12    -0.02  -0.01  -0.01
    25   1     0.25   0.08  -0.44     0.17   0.06  -0.31    -0.01  -0.00   0.01
    26   1    -0.01   0.11   0.02    -0.00   0.01   0.00     0.02  -0.20  -0.03
    27   1    -0.02   0.01   0.12    -0.00   0.00   0.00     0.03  -0.02  -0.21
    28   1    -0.37   0.15   0.11     0.56  -0.23  -0.17     0.10  -0.04  -0.03
    29   1    -0.17   0.05  -0.30     0.25  -0.08   0.44     0.05  -0.02   0.09
    30   1    -0.05   0.04   0.01    -0.03   0.02   0.01     0.09  -0.07  -0.03
    31   1    -0.02   0.01  -0.04    -0.01   0.01  -0.02     0.04  -0.03   0.08
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    33   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.02   0.01
    36   1     0.02   0.01   0.12    -0.01  -0.01  -0.06     0.08   0.07   0.62
    37   1     0.01   0.11   0.02    -0.01  -0.06  -0.01     0.06   0.59   0.08
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.3000              3482.8984              3483.1671
 Red. masses --      1.0929                 1.0927                 1.0924
 Frc consts  --      7.8087                 7.8096                 7.8089
 IR Inten    --     53.8995                33.5367                28.8688
 RamAct Fr= 1--     10.1950                44.8184                20.9655
  Dep-P Fr= 1--      0.7021                 0.7110                 0.7448
  Dep-U Fr= 1--      0.8250                 0.8311                 0.8537
 Alpha2 Fr= 1--      0.0085                 0.0303                 0.0019
 Beta2  Fr= 1--      1.4018                 6.2079                 2.9831
 AlphaG Fr= 1--     -0.0321                 0.2878                 0.0153
 Gamma2 Fr= 1--    -13.5621                58.5878               -26.1977
 Delta2 Fr= 1--     -4.8448                10.1646                 1.8124
 Raman1 Fr= 1--      40.780                179.273                 83.862
 ROA1   Fr= 1--   -1456.999               5949.692              -2456.987
 CID1   Fr= 1--     -35.728                 33.188                -29.298
 Raman2 Fr= 1--      16.821                 74.495                 35.798
 ROA2   Fr= 1--    -286.733               1324.789               -643.245
 CID2   Fr= 1--     -17.046                 17.784                -17.969
 Raman3 Fr= 1--      33.642                148.989                 71.595
 ROA3   Fr= 1--   -1456.999               5949.692              -2456.987
 CID3   Fr= 1--     -43.308                 39.934                -34.318
 RC180  Fr= 1--       0.650                  0.662                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.01  -0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7     0.02  -0.02   0.01    -0.03   0.02  -0.01    -0.05   0.04  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   7     0.01  -0.05  -0.05     0.00  -0.01  -0.01     0.00  -0.02  -0.02
    10   7    -0.00  -0.00   0.00    -0.05  -0.04   0.02     0.03   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.01  -0.00   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.03   0.02   0.01     0.46   0.35   0.15    -0.31  -0.24  -0.10
    23   1     0.01   0.01  -0.03     0.19   0.16  -0.42    -0.12  -0.10   0.28
    24   1    -0.12  -0.05  -0.04     0.02   0.01   0.01     0.01   0.01   0.00
    25   1    -0.06  -0.02   0.10     0.01   0.00  -0.02     0.01   0.00  -0.01
    26   1    -0.06   0.59   0.08    -0.02   0.17   0.02    -0.02   0.19   0.03
    27   1    -0.08   0.07   0.61    -0.02   0.02   0.17    -0.03   0.02   0.20
    28   1     0.10  -0.04  -0.03     0.03  -0.01  -0.01    -0.01   0.00   0.00
    29   1     0.04  -0.01   0.08     0.01  -0.00   0.02    -0.00   0.00  -0.01
    30   1    -0.20   0.15   0.07     0.29  -0.22  -0.10     0.47  -0.36  -0.16
    31   1    -0.08   0.06  -0.17     0.12  -0.10   0.26     0.19  -0.16   0.43
    32   1     0.00   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    36   1     0.03   0.02   0.21    -0.03  -0.02  -0.22     0.02   0.01   0.12
    37   1     0.02   0.20   0.03    -0.02  -0.21  -0.03     0.01   0.11   0.02

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2547.093632591.510643900.78218
           X            1.00000  -0.00006  -0.00000
           Y            0.00006   1.00000   0.00026
           Z            0.00000  -0.00026   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03401     0.03342     0.02220
 Rotational constants (GHZ):           0.70855     0.69641     0.46266
 Zero-point vibrational energy     925914.5 (Joules/Mol)
                                  221.29887 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    125.48   130.13   160.24   204.91   207.06
          (Kelvin)            231.08   308.06   308.85   314.55   356.95
                              422.83   438.84   439.33   467.88   477.79
                              573.96   579.96   582.98   662.93   667.76
                              721.75   772.46   782.07   797.71   983.74
                              994.33  1027.00  1037.28  1086.20  1110.96
                             1246.30  1247.29  1248.02  1250.15  1251.96
                             1260.27  1411.51  1414.26  1414.77  1438.09
                             1441.48  1448.70  1509.25  1509.29  1510.68
                             1603.74  1603.89  1614.80  1682.99  1686.56
                             1708.65  1756.70  1763.73  1790.71  1859.30
                             1860.15  1867.88  1915.12  1917.03  1930.08
                             1939.09  1939.60  1944.79  2020.70  2021.55
                             2025.28  2075.69  2077.31  2080.10  2162.24
                             2162.40  2163.42  2163.88  2164.96  2165.79
                             2361.25  2380.35  2383.37  2388.21  2400.10
                             2404.23  4415.84  4415.96  4419.21  4424.29
                             4424.70  4426.35  4482.44  4482.54  4483.74
                             4497.30  4497.32  4499.22  4937.63  4937.83
                             4937.90  4939.36  4939.53  4940.96  5007.87
                             5008.23  5010.02  5010.25  5011.11  5011.50
 
 Zero-point correction=                           0.352662 (Hartree/Particle)
 Thermal correction to Energy=                    0.367665
 Thermal correction to Enthalpy=                  0.368609
 Thermal correction to Gibbs Free Energy=         0.312257
 Sum of electronic and zero-point Energies=           -681.283147
 Sum of electronic and thermal Energies=              -681.268145
 Sum of electronic and thermal Enthalpies=            -681.267200
 Sum of electronic and thermal Free Energies=         -681.323553
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.713             60.557            118.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.621
 Vibrational            228.936             54.595             44.163
 Vibration     1          0.601              1.958              3.722
 Vibration     2          0.602              1.956              3.650
 Vibration     3          0.607              1.940              3.245
 Vibration     4          0.616              1.911              2.771
 Vibration     5          0.616              1.909              2.751
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.644              1.819              2.008
 Vibration     8          0.645              1.819              2.004
 Vibration     9          0.646              1.813              1.970
 Vibration    10          0.662              1.766              1.744
 Vibration    11          0.689              1.685              1.452
 Vibration    12          0.696              1.664              1.389
 Vibration    13          0.696              1.664              1.387
 Vibration    14          0.709              1.625              1.284
 Vibration    15          0.714              1.611              1.250
 Vibration    16          0.765              1.472              0.967
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.770              1.459              0.944
 Vibration    19          0.819              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.857              1.246              0.654
 Vibration    22          0.892              1.168              0.572
 Vibration    23          0.899              1.154              0.558
 Vibration    24          0.910              1.130              0.535
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.235523-143       -143.627967       -330.715616
 Total V=0       0.384803D+19         18.585239         42.794094
 Vib (Bot)       0.692506-158       -158.159577       -364.175884
 Vib (Bot)    1  0.235862D+01          0.372658          0.858078
 Vib (Bot)    2  0.227316D+01          0.356629          0.821170
 Vib (Bot)    3  0.183848D+01          0.264460          0.608941
 Vib (Bot)    4  0.142675D+01          0.154348          0.355400
 Vib (Bot)    5  0.141137D+01          0.149642          0.344564
 Vib (Bot)    6  0.125849D+01          0.099851          0.229916
 Vib (Bot)    7  0.926090D+00         -0.033347         -0.076784
 Vib (Bot)    8  0.923523D+00         -0.034552         -0.079560
 Vib (Bot)    9  0.905292D+00         -0.043211         -0.099497
 Vib (Bot)   10  0.787388D+00         -0.103811         -0.239034
 Vib (Bot)   11  0.649336D+00         -0.187530         -0.431805
 Vib (Bot)   12  0.621745D+00         -0.206388         -0.475226
 Vib (Bot)   13  0.620925D+00         -0.206961         -0.476545
 Vib (Bot)   14  0.576263D+00         -0.239379         -0.551192
 Vib (Bot)   15  0.561925D+00         -0.250321         -0.576386
 Vib (Bot)   16  0.447149D+00         -0.349548         -0.804863
 Vib (Bot)   17  0.441173D+00         -0.355391         -0.818318
 Vib (Bot)   18  0.438199D+00         -0.358329         -0.825082
 Vib (Bot)   19  0.368912D+00         -0.433077         -0.997197
 Vib (Bot)   20  0.365228D+00         -0.437436         -1.007234
 Vib (Bot)   21  0.327155D+00         -0.485246         -1.117321
 Vib (Bot)   22  0.295965D+00         -0.528759         -1.217513
 Vib (Bot)   23  0.290490D+00         -0.536869         -1.236187
 Vib (Bot)   24  0.281841D+00         -0.549995         -1.266411
 Vib (V=0)       0.113143D+05          4.053629          9.333827
 Vib (V=0)    1  0.291104D+01          0.464048          1.068509
 Vib (V=0)    2  0.282750D+01          0.451402          1.039392
 Vib (V=0)    3  0.240526D+01          0.381162          0.877659
 Vib (V=0)    4  0.201183D+01          0.303591          0.699043
 Vib (V=0)    5  0.199732D+01          0.300448          0.691808
 Vib (V=0)    6  0.185418D+01          0.268152          0.617443
 Vib (V=0)    7  0.155245D+01          0.191016          0.439832
 Vib (V=0)    8  0.155019D+01          0.190384          0.438376
 Vib (V=0)    9  0.153419D+01          0.185880          0.428004
 Vib (V=0)   10  0.143273D+01          0.156164          0.359580
 Vib (V=0)   11  0.131953D+01          0.120421          0.277279
 Vib (V=0)   12  0.129785D+01          0.113225          0.260710
 Vib (V=0)   13  0.129721D+01          0.113011          0.260218
 Vib (V=0)   14  0.126294D+01          0.101383          0.233443
 Vib (V=0)   15  0.125217D+01          0.097663          0.224878
 Vib (V=0)   16  0.117078D+01          0.068474          0.157668
 Vib (V=0)   17  0.116681D+01          0.067000          0.154272
 Vib (V=0)   18  0.116484D+01          0.066268          0.152588
 Vib (V=0)   19  0.112137D+01          0.049748          0.114548
 Vib (V=0)   20  0.111919D+01          0.048902          0.112602
 Vib (V=0)   21  0.109752D+01          0.040413          0.093053
 Vib (V=0)   22  0.108103D+01          0.033838          0.077914
 Vib (V=0)   23  0.107826D+01          0.032723          0.075348
 Vib (V=0)   24  0.107396D+01          0.030990          0.071356
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181644D+07          6.259220         14.412388
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005100   -0.000011887    0.000022263
      2        6           0.000024674   -0.000007295    0.000004029
      3        7          -0.000010636    0.000026720   -0.000042364
      4       45           0.000017130   -0.000084262   -0.000003418
      5        7          -0.000047401    0.000037833    0.000044979
      6        6           0.000006334   -0.000012716   -0.000025163
      7        6           0.000011055   -0.000018920    0.000010921
      8        7           0.000018590   -0.000022431   -0.000027330
      9        7          -0.000056269    0.000014816   -0.000004606
     10        7           0.000012714    0.000017478   -0.000043286
     11        6          -0.000007160    0.000033001    0.000052067
     12        6           0.000029748    0.000022177    0.000032591
     13        7           0.000022636   -0.000005004   -0.000024737
     14        1           0.000003460    0.000013517   -0.000027886
     15        1           0.000004111   -0.000004407    0.000002160
     16        1           0.000000319    0.000024622    0.000018310
     17        1           0.000003082   -0.000001730    0.000000535
     18        1          -0.000009274   -0.000014517   -0.000003400
     19        1          -0.000005202   -0.000001750    0.000001227
     20        1           0.000001694   -0.000015081    0.000022917
     21        1          -0.000005252   -0.000003557    0.000001696
     22        1           0.000008274   -0.000051368    0.000031366
     23        1          -0.000008175   -0.000011945    0.000016758
     24        1          -0.000013145    0.000002613   -0.000005732
     25        1           0.000009650    0.000013497   -0.000007122
     26        1          -0.000014991    0.000011089   -0.000003619
     27        1           0.000005990   -0.000001379    0.000007005
     28        1          -0.000019051   -0.000002055    0.000013357
     29        1           0.000018269   -0.000002927    0.000017093
     30        1           0.000010214    0.000025603   -0.000037802
     31        1          -0.000017459    0.000005819    0.000003228
     32        1          -0.000011035   -0.000007365   -0.000005448
     33        1           0.000001596    0.000005984   -0.000003788
     34        1          -0.000003859    0.000004921   -0.000004174
     35        1          -0.000001167    0.000009343   -0.000000539
     36        1           0.000012377   -0.000003162   -0.000011403
     37        1           0.000003060    0.000014724   -0.000020685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084262 RMS     0.000020496
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154551D+03 -0.139539D-02 -0.152742D-02
      2  -0.139539D-02  0.153034D+03  0.908915D-01
      3  -0.152742D-02  0.908915D-01  0.122587D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.170396D+01 -0.555993D-01 -0.247867D-03
      2  -0.171496D-01  0.541500D+01 -0.149991D+01
      3  -0.205363D-01 -0.161686D+01 -0.707288D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.845132D+02 -0.491313D+00  0.224172D-01
      2   0.907153D+02  0.523643D+00  0.107625D-01
      3  -0.620204D+01 -0.323295D-01 -0.331797D-01
      4  -0.505770D+00  0.931560D+02 -0.456768D+01
      5  -0.629184D-01  0.114506D+01 -0.920798D+01
      6  -0.879031D+01 -0.741582D-01 -0.501113D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.346002D+01 -0.375804D+01  0.296940D+01 -0.555415D+01  0.132759D+01
      2  -0.375804D+01  0.923226D+00 -0.444562D+00  0.132759D+01  0.299316D+01
      3   0.296940D+01 -0.444562D+00  0.814371D+00 -0.125618D+01  0.298969D+01
                 6             7             8             9            10 
      1  -0.125618D+01  0.281489D+01 -0.800185D+00  0.103944D+01  0.340135D+01
      2   0.298969D+01 -0.800185D+00  0.228384D+01  0.762574D+00  0.375841D+01
      3   0.701298D+00  0.103944D+01  0.762574D+00 -0.770999D+00 -0.295765D+01
                11            12            13            14            15 
      1   0.375841D+01 -0.295765D+01  0.556098D+01  0.138918D+01 -0.124404D+01
      2   0.974347D+00 -0.431294D+00  0.138918D+01 -0.297550D+01 -0.299364D+01
      3  -0.431294D+00  0.804010D+00 -0.124404D+01 -0.299364D+01 -0.697633D+00
                16            17            18            19            20 
      1  -0.280090D+01 -0.787673D+00  0.103104D+01 -0.804754D+01 -0.466746D+01
      2  -0.787673D+00 -0.228651D+01 -0.758679D+00 -0.466746D+01 -0.154319D+01
      3   0.103104D+01 -0.758679D+00  0.774505D+00  0.497053D+01  0.138764D+01
                21            22            23            24            25 
      1   0.497053D+01 -0.225154D+01 -0.630549D+00  0.407611D+00  0.352879D+01
      2   0.138764D+01 -0.630549D+00  0.163730D+01  0.144064D+01  0.130007D+01
      3  -0.226542D+01  0.407611D+00  0.144064D+01 -0.840200D+00 -0.202472D+01
                26            27            28            29            30 
      1   0.130007D+01 -0.202472D+01  0.145685D+01  0.852804D-02  0.469707D-02
      2   0.195759D+01 -0.105760D+01  0.852804D-02 -0.165715D+01 -0.152860D+01
      3  -0.105760D+01 -0.155885D+01  0.469707D-02 -0.152860D+01  0.174191D+00
                31            32            33            34            35 
      1   0.101372D-01 -0.165259D+01  0.179504D+01  0.964498D-02 -0.755872D-01
      2  -0.165259D+01 -0.449748D-02  0.309241D-02 -0.755872D-01  0.155061D-01
      3   0.179504D+01  0.309241D-02  0.331210D-02  0.140471D+00  0.356551D-02
                36            37            38            39            40 
      1   0.140471D+00  0.491636D+01  0.372045D+01 -0.194392D+01  0.566802D+01
      2   0.356551D-02  0.372045D+01  0.133001D+01 -0.311636D+01  0.290917D+01
      3   0.278730D-02 -0.194392D+01 -0.311636D+01  0.205075D+01 -0.365488D+01
                41            42            43            44            45 
      1   0.290917D+01 -0.365488D+01 -0.182834D+01 -0.223216D+01  0.253492D+01
      2   0.258778D+01 -0.253280D+01 -0.223216D+01 -0.168961D+01 -0.361734D-01
      3  -0.253280D+01  0.593143D+00  0.253492D+01 -0.361734D-01  0.465698D+00
                46            47            48            49            50 
      1  -0.265156D+01 -0.948252D+00 -0.502014D+00 -0.163641D+01 -0.162558D+01
      2  -0.948252D+00 -0.968512D+00  0.316730D+01 -0.162558D+01 -0.100766D+01
      3  -0.502014D+00  0.316730D+01 -0.188059D+01  0.306938D+01  0.241948D+01
                51            52            53            54            55 
      1   0.306938D+01 -0.158064D+00  0.436502D+01 -0.287554D+01  0.617659D+00
      2   0.241948D+01  0.436502D+01  0.303133D+01 -0.782508D+00 -0.606672D+00
      3  -0.209684D+00 -0.287554D+01 -0.782508D+00  0.279238D+00  0.118802D+01
                56            57            58            59            60 
      1  -0.606672D+00  0.118802D+01 -0.377841D+00 -0.297608D+00 -0.282268D+01
      2  -0.130872D+01 -0.273324D+01 -0.297608D+00 -0.434072D+01 -0.298600D+01
      3  -0.273324D+01  0.900730D+00 -0.282268D+01 -0.298600D+01 -0.150541D+01
                61            62            63            64            65 
      1   0.165687D+01 -0.352149D+01  0.897880D+00  0.122684D+01 -0.326129D-01
      2  -0.352149D+01 -0.459678D+01 -0.267005D+01 -0.326129D-01  0.292285D+01
      3   0.897880D+00 -0.267005D+01 -0.934005D-01 -0.706894D+00  0.212322D+01
                66            67            68            69            70 
      1  -0.706894D+00 -0.380344D+00  0.508801D+00  0.166854D+01 -0.355666D+00
      2   0.212322D+01  0.508801D+00  0.103064D+02  0.484224D+01  0.110619D+01
      3  -0.601272D+00  0.166854D+01  0.484224D+01  0.177672D+01 -0.131100D+01
                71            72            73            74            75 
      1   0.110619D+01 -0.131100D+01 -0.807893D+01  0.464787D+01 -0.497339D+01
      2   0.360203D+01  0.197864D+01  0.464787D+01 -0.150433D+01  0.138211D+01
      3   0.197864D+01 -0.537968D+00 -0.497339D+01  0.138211D+01 -0.227902D+01
                76            77            78            79            80 
      1   0.222505D+01 -0.597075D+00  0.397383D+00 -0.354014D+01  0.130286D+01
      2  -0.597075D+00 -0.164596D+01 -0.144161D+01  0.130286D+01 -0.195971D+01
      3   0.397383D+00 -0.144161D+01  0.822376D+00 -0.203839D+01  0.104310D+01
                81            82            83            84            85 
      1  -0.203839D+01  0.495304D+01 -0.371200D+01  0.195689D+01 -0.566545D+01
      2   0.104310D+01 -0.371200D+01  0.132459D+01 -0.312925D+01  0.289226D+01
      3   0.155760D+01  0.195689D+01 -0.312925D+01  0.204664D+01 -0.366891D+01
                86            87            88            89            90 
      1   0.289226D+01 -0.366891D+01  0.182866D+01 -0.223947D+01  0.252743D+01
      2  -0.257751D+01  0.250535D+01 -0.223947D+01  0.166875D+01  0.433058D-01
      3   0.250535D+01 -0.586373D+00  0.252743D+01  0.433058D-01 -0.454150D+00
                91            92            93            94            95 
      1  -0.267010D+01  0.941237D+00  0.478009D+00  0.163285D+01 -0.162969D+01
      2   0.941237D+00 -0.979986D+00  0.318678D+01 -0.162969D+01  0.100416D+01
      3   0.478009D+00  0.318678D+01 -0.186957D+01  0.308505D+01 -0.239273D+01
                96            97            98            99           100 
      1   0.308505D+01  0.127588D+00  0.438227D+01 -0.286407D+01  0.613318D+00
      2  -0.239273D+01  0.438227D+01 -0.299331D+01  0.763561D+00  0.622688D+00
      3   0.196584D+00 -0.286407D+01  0.763561D+00 -0.282762D+00 -0.116244D+01
               101           102           103           104           105 
      1   0.622688D+00 -0.116244D+01  0.384488D+00 -0.291215D+00 -0.284084D+01
      2  -0.131402D+01 -0.275577D+01 -0.291215D+00  0.430612D+01  0.294804D+01
      3  -0.275577D+01  0.881323D+00 -0.284084D+01  0.294804D+01  0.151616D+01
               106           107           108           109           110 
      1  -0.162309D+01 -0.354979D+01  0.873179D+00  0.122862D+01  0.245420D-01
      2  -0.354979D+01  0.456273D+01  0.268855D+01  0.245420D-01  0.295535D+01
      3   0.873179D+00  0.268855D+01  0.103202D+00  0.687268D+00  0.214484D+01
               111           112           113           114           115 
      1   0.687268D+00  0.380918D+00  0.544755D+00  0.168793D+01  0.345255D+00
      2   0.214484D+01  0.544755D+00 -0.102752D+02 -0.482362D+01  0.112164D+01
      3  -0.590339D+00  0.168793D+01 -0.482362D+01 -0.178578D+01 -0.129749D+01
               116           117           118           119           120 
      1   0.112164D+01 -0.129749D+01  0.504736D+01  0.160313D+00  0.156798D+01
      2  -0.361024D+01 -0.200057D+01  0.160313D+00  0.135259D+01 -0.283064D+00
      3  -0.200057D+01  0.536231D+00  0.156798D+01 -0.283064D+00  0.142777D+01
               121           122           123           124           125 
      1  -0.784090D+00  0.866941D+00 -0.537076D+00  0.265319D+01 -0.478676D+00
      2   0.866941D+00 -0.849331D+00  0.408142D+00 -0.478676D+00  0.917724D+00
      3  -0.537076D+00  0.408142D+00 -0.427326D+00  0.201407D+01 -0.339051D-01
               126           127           128           129           130 
      1   0.201407D+01  0.431867D+01  0.275225D+01 -0.150280D+01  0.274235D+01
      2  -0.339051D-01  0.275225D+01  0.248620D+01 -0.135080D+01  0.300637D+01
      3   0.216940D+01 -0.150280D+01 -0.135080D+01  0.141225D+01 -0.141152D+01
               131           132           133           134           135 
      1   0.300637D+01 -0.141152D+01 -0.246376D+01 -0.253274D+01  0.243847D+01
      2   0.530921D+01 -0.195888D+01 -0.253274D+01 -0.286424D+01  0.234725D+01
      3  -0.195888D+01  0.156555D+01  0.243847D+01  0.234725D+01 -0.277828D+01
               136           137           138           139           140 
      1  -0.255510D+01  0.112766D+01 -0.112706D+01  0.982360D+00 -0.106201D+01
      2   0.112766D+01 -0.214335D+01  0.879818D+00 -0.106201D+01  0.350869D+01
      3  -0.112706D+01  0.879818D+00 -0.115817D+01  0.561597D+00 -0.926773D+00
               141           142           143           144           145 
      1   0.561597D+00 -0.176046D+01  0.101074D+01 -0.107085D+01  0.145667D+01
      2  -0.926773D+00  0.101074D+01 -0.178256D+01  0.177111D+01  0.192348D+01
      3   0.995822D+00 -0.107085D+01  0.177111D+01 -0.229038D+01  0.530621D+00
               146           147           148           149           150 
      1   0.192348D+01  0.530621D+00  0.152532D+01  0.187389D+01  0.834493D+00
      2   0.218198D+01  0.888265D+00  0.187389D+01  0.867865D+01  0.272570D+01
      3   0.888265D+00  0.588368D+00  0.834493D+00  0.272570D+01  0.192004D+01
               151           152           153           154           155 
      1   0.497798D+00  0.141163D+01  0.748419D+00 -0.254040D+01 -0.112912D+01
      2   0.141163D+01  0.479373D+01  0.316007D+01 -0.112912D+01 -0.214596D+01
      3   0.748419D+00  0.316007D+01  0.253301D+01  0.111738D+01  0.880192D+00
               156           157           158           159           160 
      1   0.111738D+01 -0.987761D+00 -0.106413D+01  0.562564D+00  0.174747D+01
      2   0.880192D+00 -0.106413D+01 -0.354209D+01  0.938614D+00  0.101221D+01
      3  -0.114970D+01  0.562564D+00  0.938614D+00 -0.100288D+01 -0.106031D+01
               161           162           163           164           165 
      1   0.101221D+01 -0.106031D+01  0.148063D+01 -0.193529D+01 -0.541292D+00
      2   0.179731D+01 -0.177685D+01 -0.193529D+01  0.220380D+01  0.901814D+00
      3  -0.177685D+01  0.228338D+01 -0.541292D+00  0.901814D+00  0.601679D+00
               166           167           168           169           170 
      1  -0.153341D+01  0.188853D+01  0.845518D+00 -0.513489D+00  0.143184D+01
      2   0.188853D+01 -0.862287D+01 -0.271979D+01  0.143184D+01 -0.478821D+01
      3   0.845518D+00 -0.271979D+01 -0.192073D+01  0.766543D+00 -0.316406D+01
               171           172           173           174           175 
      1   0.766543D+00  0.504760D+01 -0.142978D+00 -0.156230D+01  0.800577D+00
      2  -0.316406D+01 -0.142978D+00  0.135248D+01 -0.290958D+00  0.871410D+00
      3  -0.254828D+01 -0.156230D+01 -0.290958D+00  0.142273D+01 -0.544018D+00
               176           177           178           179           180 
      1   0.871410D+00 -0.544018D+00 -0.264212D+01 -0.491647D+00  0.200937D+01
      2   0.870166D+00 -0.412520D+00 -0.491647D+00 -0.922038D+00  0.460932D-01
      3  -0.412520D+00  0.434605D+00  0.200937D+01  0.460932D-01 -0.216389D+01
               181           182           183           184           185 
      1   0.435384D+01 -0.275970D+01  0.151218D+01 -0.274995D+01  0.300922D+01
      2  -0.275970D+01  0.249119D+01 -0.135318D+01  0.300922D+01 -0.528424D+01
      3   0.151218D+01 -0.135318D+01  0.141600D+01 -0.141202D+01  0.194588D+01
               186           187           188           189           190 
      1  -0.141202D+01  0.247656D+01 -0.253156D+01  0.244179D+01  0.425366D+01
      2   0.194588D+01 -0.253156D+01  0.284185D+01 -0.233545D+01  0.104904D+01
      3  -0.155837D+01  0.244179D+01 -0.233545D+01  0.277212D+01  0.170736D+01
               191           192           193           194           195 
      1   0.104904D+01  0.170736D+01  0.263488D+01  0.100203D+00  0.185095D+01
      2   0.167579D+01  0.843293D+00  0.100203D+00  0.211011D+01 -0.690607D-01
      3   0.843293D+00  0.145664D+01  0.185095D+01 -0.690607D-01  0.136048D+01
               196           197           198           199           200 
      1   0.927338D+00  0.109642D+01  0.878684D+00 -0.159569D+01  0.127838D+01
      2   0.109642D+01  0.701904D-01  0.645716D+00  0.127838D+01 -0.976022D+00
      3   0.878684D+00  0.645716D+00  0.167281D+01 -0.140040D+00  0.102680D+01
               201           202           203           204           205 
      1  -0.140040D+00  0.235687D-01 -0.632787D-01  0.404327D+00  0.111077D+01
      2   0.102680D+01 -0.632787D-01 -0.119386D+01  0.856276D+00 -0.138759D+00
      3  -0.162023D+01  0.404327D+00  0.856276D+00 -0.131426D+01  0.337608D-01
               206           207           208           209           210 
      1  -0.138759D+00  0.337608D-01 -0.356160D+01 -0.105004D+01 -0.157453D+01
      2   0.127416D+01 -0.127460D+01 -0.105004D+01 -0.356262D+01 -0.191486D+01
      3  -0.127460D+01  0.563323D+01 -0.157453D+01 -0.191486D+01 -0.183372D+01
               211           212           213           214           215 
      1  -0.164352D+01 -0.132463D+01 -0.958984D+00 -0.128331D+01 -0.899841D+00
      2  -0.132463D+01 -0.112593D+01 -0.127374D+00 -0.899841D+00  0.210030D+00
      3  -0.958984D+00 -0.127374D+00 -0.683031D+00 -0.960124D+00 -0.530259D+00
               216           217           218           219           220 
      1  -0.960124D+00  0.880140D+00 -0.660653D+00 -0.125569D+01 -0.474878D+00
      2  -0.530259D+00 -0.660653D+00  0.152360D+01  0.408168D+00 -0.912924D-01
      3  -0.174793D+01 -0.125569D+01  0.408168D+00  0.195969D+01 -0.234580D+00
               221           222           223           224           225 
      1  -0.912924D-01 -0.234580D+00 -0.113172D+01  0.162705D+00  0.111966D+01
      2   0.207815D+01  0.430540D+00  0.162705D+00 -0.132224D+01 -0.724170D+00
      3   0.430540D+00  0.631141D+00  0.111966D+01 -0.724170D+00 -0.550105D+01
               226           227           228           229           230 
      1   0.588810D+00  0.361781D+00  0.910933D+00  0.236038D+01 -0.109897D+01
      2   0.361781D+00 -0.998935D+00 -0.160682D+00 -0.109897D+01  0.576000D+01
      3   0.910933D+00 -0.160682D+00  0.223190D+00  0.787778D+00 -0.870574D+00
               231           232           233           234           235 
      1   0.787778D+00  0.185602D+01 -0.419589D+00  0.606853D+00  0.101852D+01
      2  -0.870574D+00 -0.419589D+00  0.779638D-01  0.445205D+00 -0.819195D+00
      3   0.120593D+01  0.606853D+00  0.445205D+00 -0.226414D+00  0.156448D+00
               236           237           238           239           240 
      1  -0.819195D+00  0.156448D+00 -0.132706D+01  0.121782D+00 -0.464285D+00
      2  -0.770916D-01 -0.400663D+00  0.121782D+00  0.694847D+00 -0.536910D+00
      3  -0.400663D+00  0.734438D+00 -0.464285D+00 -0.536910D+00 -0.377787D+00
               241           242           243           244           245 
      1  -0.176103D+01  0.193358D+00 -0.836373D+00 -0.357427D+01  0.105578D+01
      2   0.193358D+00 -0.999944D+00  0.106535D+01  0.105578D+01 -0.356247D+01
      3  -0.836373D+00  0.106535D+01 -0.702293D+01  0.158673D+01 -0.191139D+01
               246           247           248           249           250 
      1   0.158673D+01  0.164102D+01 -0.131825D+01 -0.954235D+00  0.129053D+01
      2  -0.191139D+01 -0.131825D+01  0.110164D+01  0.117562D+00 -0.894994D+00
      3  -0.183843D+01 -0.954235D+00  0.117562D+00  0.678478D+00 -0.963447D+00
               251           252           253           254           255 
      1  -0.894994D+00 -0.963447D+00  0.876263D+00  0.659802D+00  0.125905D+01
      2  -0.211893D+00  0.531273D+00  0.659802D+00  0.153873D+01  0.417263D+00
      3   0.531273D+00  0.175277D+01  0.125905D+01  0.417263D+00  0.196697D+01
               256           257           258           259           260 
      1   0.479327D+00 -0.795544D-01 -0.228302D+00  0.113184D+01  0.164333D+00
      2  -0.795544D-01 -0.207331D+01 -0.429851D+00  0.164333D+00  0.132725D+01
      3  -0.228302D+00 -0.429851D+00 -0.618767D+00  0.112120D+01  0.735319D+00
               261           262           263           264           265 
      1   0.112120D+01  0.427920D+01 -0.104624D+01 -0.171024D+01 -0.262534D+01
      2   0.735319D+00 -0.104624D+01  0.168239D+01  0.834972D+00  0.975911D-01
      3   0.550115D+01 -0.171024D+01  0.834972D+00  0.145472D+01  0.184170D+01
               266           267           268           269           270 
      1   0.975911D-01  0.184170D+01 -0.922861D+00  0.109428D+01  0.871331D+00
      2  -0.210845D+01  0.838812D-01  0.109428D+01 -0.550512D-01 -0.640934D+00
      3   0.838812D-01 -0.134962D+01  0.871331D+00 -0.640934D+00 -0.165792D+01
               271           272           273           274           275 
      1  -0.158297D+01 -0.128173D+01  0.136813D+00 -0.320145D-01 -0.682899D-01
      2  -0.128173D+01 -0.981778D+00  0.102460D+01 -0.682899D-01  0.118376D+01
      3   0.136813D+00  0.102460D+01 -0.161786D+01  0.404309D+00 -0.847188D+00
               276           277           278           279           280 
      1   0.404309D+00 -0.111385D+01 -0.143956D+00  0.383538D-01 -0.106799D+01
      2  -0.847188D+00 -0.143956D+00 -0.127579D+01  0.126891D+01 -0.812388D+00
      3   0.129951D+01  0.383538D-01  0.126891D+01 -0.564692D+01 -0.102631D+01
               281           282           283           284           285 
      1  -0.812388D+00 -0.102631D+01 -0.157180D+01 -0.128082D+01 -0.536871D+00
      2  -0.428476D+00 -0.202856D+00 -0.128082D+01 -0.429398D+01 -0.210374D+01
      3  -0.202856D+00 -0.437403D+00 -0.536871D+00 -0.210374D+01 -0.225425D+01
               286           287           288           289           290 
      1  -0.159793D+01 -0.396771D+00 -0.906139D+00 -0.905498D+01  0.231325D+01
      2  -0.396771D+00 -0.155513D+01 -0.154769D+01  0.231325D+01 -0.163060D+01
      3  -0.906139D+00 -0.154769D+01 -0.220653D+01 -0.247268D+01  0.643894D+00
               291           292           293           294           295 
      1  -0.247268D+01  0.429672D+01 -0.247702D+01  0.139794D+01 -0.276068D+01
      2   0.643894D+00 -0.247702D+01  0.140794D+01 -0.126747D+01  0.802171D+00
      3  -0.185444D+01  0.139794D+01 -0.126747D+01  0.899525D+00 -0.239346D+01
               296           297           298           299           300 
      1   0.802171D+00 -0.239346D+01 -0.902106D+01 -0.233437D+01  0.245468D+01
      2  -0.786626D+00  0.638616D+00 -0.233437D+01 -0.164514D+01  0.644738D+00
      3   0.638616D+00 -0.148992D+01  0.245468D+01  0.644738D+00 -0.184338D+01
               301           302           303           304           305 
      1  -0.432031D+01 -0.250194D+01  0.139760D+01  0.273946D+01  0.804559D+00
      2  -0.250194D+01 -0.143791D+01  0.127225D+01  0.804559D+00  0.790133D+00
      3   0.139760D+01  0.127225D+01 -0.904950D+00 -0.238151D+01 -0.645725D+00
               306           307           308           309           310 
      1  -0.238151D+01 -0.108068D+01  0.819200D+00  0.102895D+01  0.158413D+01
      2  -0.645725D+00  0.819200D+00 -0.445935D+00 -0.212844D+00 -0.129711D+01
      3   0.147791D+01  0.102895D+01 -0.212844D+00 -0.449713D+00 -0.545882D+00
               311           312           313           314           315 
      1  -0.129711D+01 -0.545882D+00  0.160164D+01 -0.402415D+00 -0.913387D+00
      2   0.428223D+01  0.209883D+01 -0.402415D+00  0.155113D+01  0.154337D+01
      3   0.209883D+01  0.225190D+01 -0.913387D+00  0.154337D+01  0.220283D+01
               316           317           318           319           320 
      1   0.100592D+01  0.823994D+00 -0.153390D+00  0.133794D+01  0.132404D+00
      2   0.823994D+00 -0.700498D-01 -0.400251D+00  0.132404D+00 -0.689211D+00
      3  -0.153390D+00 -0.400251D+00  0.726722D+00 -0.468786D+00  0.531930D+00
               321           322           323           324           325 
      1  -0.468786D+00  0.176056D+01  0.197464D+00 -0.839749D+00  0.601557D+00
      2   0.531930D+00  0.197464D+00  0.998669D+00 -0.105804D+01 -0.351900D+00
      3   0.392943D+00 -0.839749D+00 -0.105804D+01  0.702696D+01 -0.911290D+00
               326           327           328           329           330 
      1  -0.351900D+00 -0.911290D+00 -0.235515D+01 -0.108849D+01  0.784381D+00
      2  -0.974788D+00 -0.165071D+00 -0.108849D+01 -0.577213D+01  0.882394D+00
      3  -0.165071D+00  0.226074D+00  0.784381D+00  0.882394D+00 -0.120848D+01
               331           332           333 
      1  -0.184746D+01 -0.422456D+00  0.603670D+00
      2  -0.422456D+00 -0.720219D-01 -0.444302D+00
      3   0.603670D+00 -0.444302D+00  0.233760D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.237563D+01 -0.472771D+00  0.145989D+00  0.669420D+00 -0.226386D+01
      2  -0.566319D+01 -0.672507D+01  0.684437D+01 -0.839588D+01 -0.790315D+01
      3  -0.108660D+02 -0.139136D+01  0.272087D+01  0.554878D+00  0.112414D+02
                 6             7             8             9            10 
      1  -0.409139D+01  0.598822D+00 -0.289292D+00 -0.935619D+00  0.236479D+01
      2  -0.665875D+01  0.310305D+01 -0.191887D+01  0.222323D+01  0.573212D+01
      3   0.842480D+01  0.414628D+01  0.884250D+01  0.441298D+01  0.108785D+02
                11            12            13            14            15 
      1   0.530618D+00 -0.156174D+00 -0.597572D+00 -0.226939D+01 -0.410915D+01
      2  -0.675942D+01  0.683443D+01 -0.844446D+01  0.782518D+01  0.665137D+01
      3  -0.124625D+01  0.278781D+01  0.725357D+00 -0.112166D+02 -0.842071D+01
                16            17            18            19            20 
      1  -0.605199D+00 -0.291947D+00 -0.918232D+00 -0.209154D+01  0.757474D+01
      2   0.310010D+01  0.191142D+01 -0.221645D+01 -0.236649D+02 -0.359060D+01
      3   0.422317D+01 -0.883440D+01 -0.440512D+01 -0.179437D+02  0.212927D+01
                21            22            23            24            25 
      1   0.371916D+01  0.208084D+02  0.171688D+02 -0.111545D+02  0.144132D+02
      2  -0.374328D+00 -0.191928D+01 -0.318054D+01 -0.112965D+01 -0.266859D+02
      3   0.462424D+01  0.281896D+02  0.188287D+02 -0.112903D+02  0.489698D+01
                26            27            28            29            30 
      1   0.759958D+01 -0.161094D+02 -0.226907D+01  0.127897D-01  0.259612D-01
      2  -0.101059D+02  0.243002D+02  0.103253D-01  0.114304D+01 -0.831107D+01
      3  -0.248099D+01 -0.141003D+01 -0.207651D-01  0.138770D+02  0.127924D+01
                31            32            33            34            35 
      1  -0.316256D-01 -0.453086D-01  0.989137D+01  0.688418D-02 -0.179583D+02
      2  -0.241755D+00 -0.220073D-01 -0.196140D-01  0.198561D+02  0.199713D-01
      3  -0.163770D+02  0.425980D-01  0.439803D-01  0.444581D+00  0.953199D-02
                36            37            38            39            40 
      1   0.512669D+00 -0.499417D+01  0.985309D+01  0.635732D+01  0.166969D+02
      2  -0.104720D-01 -0.243238D+02 -0.996654D+01  0.840246D+01  0.326647D+00
      3  -0.748173D-02 -0.230922D+02 -0.157020D+01  0.116521D+02  0.231845D+02
                41            42            43            44            45 
      1   0.146801D+02 -0.659266D+01  0.133801D+02  0.915839D+01 -0.816446D+01
      2  -0.922027D-01 -0.102787D+02 -0.218634D+02 -0.202572D+02  0.212178D+02
      3   0.203476D+02 -0.114403D+02  0.404688D+01 -0.678133D+01  0.417544D+01
                46            47            48            49            50 
      1   0.633487D+01 -0.533629D+01  0.285200D+01 -0.481036D+01 -0.897175D+01
      2  -0.465040D+01  0.586395D+01 -0.198426D+01  0.460565D+01  0.622534D+01
      3  -0.410507D+01  0.563808D-01 -0.992565D+01  0.524568D+01 -0.275097D+01
                51            52            53            54            55 
      1  -0.613023D+01  0.666028D+00 -0.349735D+01  0.204846D+01 -0.123576D+01
      2   0.285542D+01 -0.367383D+01  0.423195D+01 -0.164373D+01 -0.751718D+00
      3  -0.271924D+01 -0.142131D+02 -0.139178D+01 -0.498029D+01  0.578599D+01
                56            57            58            59            60 
      1   0.994978D+01 -0.650913D+01  0.111004D+02  0.350197D+01 -0.552080D+00
      2  -0.446178D+01  0.419475D+01 -0.382468D+01 -0.375748D+00  0.691498D+00
      3  -0.400491D+01  0.323874D+01  0.867300D+00  0.489172D+00 -0.964779D+01
                61            62            63            64            65 
      1  -0.649622D+01 -0.403992D+00 -0.237791D+01  0.452206D-01  0.183285D+01
      2   0.227222D+00  0.149810D+01  0.932673D+00 -0.237119D+01  0.222184D+02
      3   0.606503D+01 -0.127921D+02  0.533920D+01 -0.334915D+00 -0.376024D+02
                66            67            68            69            70 
      1   0.671516D+01 -0.208003D+01 -0.239621D+02  0.145179D+01  0.780983D+01
      2   0.135907D+02  0.107205D+02 -0.105333D+01 -0.262615D+01  0.167036D+01
      3  -0.157925D+02 -0.111546D+02  0.372785D+01  0.455347D+01 -0.761306D+01
                71            72            73            74            75 
      1   0.339266D+02  0.217325D+02 -0.206774D+01 -0.761174D+01 -0.365613D+01
      2   0.962378D-01  0.320939D+01  0.237248D+02 -0.354516D+01 -0.311658D+00
      3   0.642665D+00 -0.416072D+01  0.178669D+02  0.220382D+01  0.459272D+01
                76            77            78            79            80 
      1  -0.208365D+02  0.170585D+02 -0.111412D+02 -0.143527D+02  0.756316D+01
      2  -0.193260D+01  0.322531D+01  0.112494D+01 -0.266804D+02  0.100833D+02
      3   0.282183D+02 -0.187095D+02  0.112682D+02  0.490118D+01  0.247774D+01
                81            82            83            84            85 
      1  -0.160209D+02 -0.498699D+01 -0.988762D+01 -0.640821D+01 -0.167602D+02
      2  -0.243540D+02  0.242554D+02 -0.996667D+01  0.835098D+01  0.370902D+00
      3   0.137022D+01  0.229611D+02 -0.147797D+01  0.116545D+02  0.233066D+02
                86            87            88            89            90 
      1   0.146102D+02 -0.663627D+01 -0.133519D+02  0.902914D+01 -0.810692D+01
      2   0.723521D-01  0.103365D+02 -0.219265D+02  0.202170D+02 -0.211950D+02
      3  -0.202946D+02  0.115001D+02  0.403269D+01  0.683469D+01 -0.417056D+01
                91            92            93            94            95 
      1   0.627685D+01  0.538762D+01 -0.278375D+01  0.484944D+01 -0.886707D+01
      2   0.464359D+01  0.593288D+01 -0.194617D+01  0.464309D+01 -0.617746D+01
      3   0.412190D+01  0.112931D+00 -0.994473D+01  0.527914D+01  0.276270D+01
                96            97            98            99           100 
      1  -0.615473D+01 -0.601292D+00 -0.352633D+01  0.203091D+01 -0.115067D+01
      2  -0.291059D+01 -0.362366D+01 -0.430308D+01  0.165029D+01  0.783752D+00
      3   0.265221D+01 -0.142037D+02  0.128778D+01  0.498359D+01 -0.577320D+01
               101           102           103           104           105 
      1  -0.999315D+01  0.644946D+01 -0.111296D+02  0.344576D+01 -0.484565D+00
      2  -0.450647D+01  0.420737D+01 -0.386890D+01  0.353233D+00 -0.680062D+00
      3  -0.406818D+01  0.320208D+01  0.827389D+00 -0.565644D+00  0.967912D+01
               106           107           108           109           110 
      1   0.644044D+01 -0.315240D+00 -0.234662D+01  0.282685D-01 -0.184967D+01
      2   0.236842D+00 -0.149112D+01 -0.932763D+00  0.225830D+01  0.222021D+02
      3   0.599500D+01  0.128429D+02 -0.529372D+01  0.500485D+00 -0.375645D+02
               111           112           113           114           115 
      1  -0.678184D+01  0.212683D+01 -0.239379D+02  0.138634D+01 -0.792404D+01
      2   0.135456D+02  0.107274D+02  0.112208D+01  0.269179D+01  0.163103D+01
      3  -0.157648D+02 -0.111216D+02 -0.393520D+01 -0.462110D+01 -0.758536D+01
               116           117           118           119           120 
      1   0.339180D+02  0.217668D+02 -0.437873D+01  0.122756D+01 -0.319584D+01
      2   0.140834D-01 -0.314784D+01  0.534452D+01 -0.112937D+01  0.540852D+01
      3  -0.669330D+00  0.415321D+01  0.120137D+02 -0.485116D+01  0.512891D+01
               121           122           123           124           125 
      1   0.164219D+01 -0.102612D+01  0.687382D+00 -0.460015D+01  0.223261D+01
      2  -0.183979D+01  0.148381D+01 -0.228216D+01  0.467760D+01 -0.675747D+00
      3  -0.392746D+01  0.682884D+01 -0.300968D+01  0.827449D+01 -0.510996D+01
               126           127           128           129           130 
      1  -0.615654D+01  0.183832D+01  0.110367D+01 -0.366705D+01  0.242241D+01
      2   0.720065D+01 -0.760948D+00 -0.119627D+01  0.358057D+01 -0.211352D+01
      3   0.526056D+01  0.470975D+01 -0.320975D+00 -0.964973D+00  0.122933D+01
               131           132           133           134           135 
      1   0.150443D+01 -0.427573D+01 -0.226941D+01 -0.279034D+00  0.563248D+01
      2  -0.261380D+01  0.360460D+01  0.126621D+01  0.227136D+01 -0.516572D+01
      3  -0.512039D+01  0.661421D+00  0.809865D+00  0.357996D+01  0.239214D+00
               136           137           138           139           140 
      1   0.487720D+01 -0.348252D+01  0.520976D+01 -0.245454D+01  0.342720D+01
      2  -0.101204D+01  0.764571D+00  0.364184D+00  0.618862D+00 -0.507287D+00
      3  -0.123849D+02  0.393148D+01 -0.544166D+01  0.449848D+01 -0.638464D+01
               141           142           143           144           145 
      1  -0.402547D+01  0.450061D+01 -0.469502D+01  0.938989D+01 -0.464990D+00
      2   0.259795D+00 -0.222666D+01  0.598474D+00 -0.165267D+01 -0.268367D+00
      3   0.276158D+01 -0.833472D+01  0.462503D+01 -0.521136D+01  0.297733D+01
               146           147           148           149           150 
      1  -0.256649D+01 -0.201383D+01 -0.106171D+01 -0.434858D+01 -0.689809D+01
      2   0.390134D+00  0.103907D+01 -0.439265D+00  0.151005D+01  0.204926D+01
      3   0.278534D+01  0.672405D+00  0.486692D+01 -0.237804D+01 -0.404604D+00
               151           152           153           154           155 
      1  -0.693144D+00 -0.273121D+01 -0.697887D+01  0.484213D+01  0.349383D+01
      2  -0.132742D+01  0.706196D+00  0.213601D+01  0.101432D+01  0.773725D+00
      3   0.250707D+01  0.248364D+01 -0.296541D+00  0.123533D+02  0.397723D+01
               156           157           158           159           160 
      1  -0.518575D+01  0.245660D+01  0.347727D+01 -0.406193D+01 -0.446345D+01
      2   0.352132D+00  0.628104D+00  0.525049D+00 -0.273207D+00 -0.222565D+01
      3  -0.541585D+01  0.453630D+01  0.645861D+01 -0.278001D+01 -0.830391D+01
               161           162           163           164           165 
      1  -0.473238D+01  0.937297D+01 -0.484693D+00  0.257645D+01  0.205059D+01
      2  -0.627874D+00  0.167848D+01  0.271801D+00  0.406101D+00  0.106013D+01
      3  -0.466917D+01  0.520066D+01 -0.301867D+01  0.276654D+01  0.675463D+00
               166           167           168           169           170 
      1   0.109059D+01 -0.434041D+01 -0.687622D+01  0.727086D+00 -0.273951D+01
      2  -0.426918D+00 -0.152861D+01 -0.207029D+01 -0.132229D+01 -0.721977D+00
      3   0.483770D+01  0.240161D+01  0.397628D+00  0.252733D+01 -0.247923D+01
               171           172           173           174           175 
      1  -0.701391D+01 -0.434181D+01 -0.124323D+01  0.316273D+01 -0.165121D+01
      2  -0.217657D+01 -0.534809D+01 -0.116144D+01  0.539879D+01 -0.186686D+01
      3   0.280613D+00 -0.120045D+02 -0.490806D+01  0.512514D+01 -0.397602D+01
               176           177           178           179           180 
      1  -0.104687D+01  0.699912D+00  0.456168D+01  0.226290D+01 -0.611559D+01
      2  -0.150874D+01  0.231445D+01  0.468306D+01  0.715293D+00 -0.720802D+01
      3  -0.690839D+01  0.304039D+01  0.825602D+01  0.515941D+01 -0.526420D+01
               181           182           183           184           185 
      1   0.184546D+01 -0.109876D+01  0.366630D+01 -0.240652D+01  0.147021D+01
      2   0.774083D+00 -0.120435D+01  0.360344D+01 -0.212190D+01  0.259571D+01
      3  -0.472563D+01 -0.358053D+00 -0.961347D+00  0.118659D+01  0.512695D+01
               186           187           188           189           190 
      1  -0.424793D+01  0.225659D+01 -0.259465D+00  0.560240D+01  0.456526D+01
      2  -0.360499D+01  0.126867D+01 -0.225257D+01  0.517200D+01 -0.277847D+01
      3  -0.661664D+00  0.816066D+00 -0.356052D+01 -0.240938D+00 -0.717511D+01
               191           192           193           194           195 
      1   0.359781D+01  0.332820D+01  0.501505D+01  0.484294D+01  0.238301D+01
      2  -0.116654D+01  0.780988D+00 -0.523668D+01  0.819486D+00 -0.651905D+00
      3  -0.562287D+01 -0.364184D+01 -0.776818D+01 -0.554262D+01 -0.438812D+01
               196           197           198           199           200 
      1   0.172465D+01  0.250820D+01  0.236982D+01  0.104638D+01 -0.151313D+01
      2   0.524783D+00  0.100866D+01  0.633690D+00 -0.259726D+01  0.383386D+01
      3  -0.128378D+01 -0.893041D+00 -0.289121D+01 -0.278492D+01  0.278233D+01
               201           202           203           204           205 
      1  -0.893215D+00  0.187959D+00 -0.132030D+00 -0.991389D+00 -0.113912D+00
      2  -0.674030D+01  0.200800D+01  0.137877D+01 -0.264889D+01 -0.153628D+01
      3  -0.329698D+01  0.202631D+01  0.868019D+00 -0.145343D+01 -0.331460D-01
               206           207           208           209           210 
      1   0.143370D+01  0.415583D+01 -0.246398D+01  0.283937D+01 -0.203402D+01
      2  -0.277926D+01  0.115107D+02 -0.810145D+01 -0.481573D+01 -0.356885D+01
      3  -0.231830D+01  0.241689D+01  0.118407D+02  0.513179D+01  0.623064D+01
               211           212           213           214           215 
      1   0.153632D+00 -0.115367D+01 -0.174550D+01 -0.258951D+01 -0.584355D-01
      2  -0.175126D+01 -0.357358D+00 -0.945453D+00 -0.242834D+01 -0.206424D+00
      3   0.308943D+01  0.969389D+00  0.982489D+00  0.196240D+01  0.745813D+00
               216           217           218           219           220 
      1  -0.180169D+01 -0.239707D+01  0.530110D+00  0.554851D+01 -0.466394D+00
      2  -0.179554D+01  0.180493D+01 -0.145405D+01 -0.157198D+01  0.836233D+00
      3   0.293976D+01 -0.224099D+01  0.846322D+00  0.301238D+01 -0.478404D-02
               221           222           223           224           225 
      1   0.284623D+01  0.367749D+01  0.215496D+01  0.263650D+00 -0.117146D+02
      2  -0.293848D+01 -0.173818D+01 -0.255280D+01  0.799075D+00  0.178310D+01
      3   0.404405D+01  0.207094D+01  0.219746D+01 -0.121199D+01 -0.255345D+01
               226           227           228           229           230 
      1   0.149921D+01 -0.139824D+01  0.125347D+01  0.288847D+01 -0.102413D+02
      2   0.198519D+01  0.263467D+00  0.179228D+01  0.302956D+01  0.343050D+00
      3   0.109652D-01  0.914874D+00 -0.820413D+00  0.360679D+00  0.125073D+02
               231           232           233           234           235 
      1   0.400159D+00  0.300754D+01 -0.277463D+01  0.408140D+00 -0.277394D+01
      2  -0.881552D+00  0.155704D+01 -0.192704D+01  0.684168D+00 -0.219531D+00
      3  -0.197661D+01 -0.829371D+00  0.277597D+01 -0.350295D-02  0.193441D+01
               236           237           238           239           240 
      1   0.104316D+01 -0.255938D+01  0.113088D+01  0.317414D+00  0.189877D+01
      2   0.187006D+01 -0.331721D+01  0.706451D+00  0.119006D+01  0.144469D+01
      3  -0.930983D+00 -0.813018D-01  0.322506D+00  0.841336D-01 -0.166145D+01
               241           242           243           244           245 
      1   0.159120D+01  0.619652D+00  0.688259D+01 -0.248081D+01 -0.281245D+01
      2  -0.114487D+01 -0.266177D+01  0.142711D+02  0.811290D+01 -0.480339D+01
      3  -0.203571D+01 -0.138517D+01  0.143878D+01 -0.118688D+02  0.509764D+01
               246           247           248           249           250 
      1   0.206773D+01 -0.147368D+00 -0.116795D+01 -0.174344D+01  0.260127D+01
      2  -0.356356D+01 -0.172544D+01  0.321179D+00  0.926796D+00 -0.242251D+01
      3   0.623459D+01  0.305509D+01 -0.937108D+00 -0.962663D+00  0.197066D+01
               251           252           253           254           255 
      1  -0.480979D-01 -0.181361D+01 -0.239810D+01 -0.550432D+00 -0.556899D+01
      2   0.207082D+00  0.179247D+01 -0.181416D+01 -0.147465D+01 -0.159933D+01
      3  -0.753498D+00 -0.294986D+01  0.224497D+01  0.872934D+00  0.302836D+01
               256           257           258           259           260 
      1   0.442548D+00  0.281237D+01  0.363296D+01 -0.215797D+01  0.240287D+00
      2   0.820286D+00  0.294762D+01  0.174101D+01 -0.256387D+01 -0.813966D+00
      3   0.126559D-01 -0.403823D+01 -0.205973D+01  0.220188D+01  0.122933D+01
               261           262           263           264           265 
      1  -0.117062D+02  0.458528D+01 -0.360034D+01 -0.331762D+01 -0.498656D+01
      2  -0.182769D+01  0.282784D+01 -0.117728D+01  0.771685D+00 -0.526040D+01
      3   0.256731D+01  0.724015D+01 -0.564558D+01 -0.364286D+01 -0.777534D+01
               266           267           268           269           270 
      1   0.483587D+01  0.234323D+01 -0.170933D+01  0.249085D+01  0.233867D+01
      2  -0.802082D+00  0.661555D+00  0.543272D+00 -0.995742D+00 -0.623649D+00
      3   0.554576D+01  0.434754D+01 -0.125670D+01  0.872933D+00  0.286523D+01
               271           272           273           274           275 
      1   0.101460D+01  0.148695D+01  0.920023D+00 -0.196937D+00 -0.120925D+00
      2   0.260323D+01  0.384490D+01 -0.673613D+01  0.202366D+01 -0.134453D+01
      3   0.277246D+01  0.277889D+01 -0.328231D+01  0.203514D+01 -0.837255D+00
               276           277           278           279           280 
      1  -0.988861D+00  0.112692D+00  0.143578D+01  0.421051D+01  0.850156D+00
      2   0.259926D+01 -0.151914D+01  0.276984D+01 -0.115374D+02  0.370410D+01
      3   0.143583D+01 -0.271245D-01  0.232067D+01 -0.240126D+01 -0.279060D+01
               281           282           283           284           285 
      1   0.543543D-01  0.188814D+00  0.133378D+01  0.535287D+01  0.570181D+00
      2  -0.656940D+00  0.255481D+00 -0.770116D+00  0.623379D+01  0.808951D+01
      3  -0.892094D+00 -0.394256D+00 -0.132826D+01 -0.164042D+02 -0.755956D+01
               286           287           288           289           290 
      1   0.458689D-01  0.289368D+01  0.114446D+01 -0.152994D+01  0.160036D+01
      2  -0.342311D+00  0.543741D+01  0.645252D+01 -0.299477D+00 -0.593616D+00
      3  -0.857034D+00 -0.586455D+01 -0.592232D+01  0.543895D+01 -0.665639D+01
               291           292           293           294           295 
      1  -0.186909D+00  0.162959D+01 -0.146517D+01 -0.152630D+00 -0.138034D+00
      2   0.605745D+01  0.356603D+01  0.127640D+01 -0.157790D+01  0.221522D+01
      3   0.241899D+01 -0.351731D+01  0.488981D+01 -0.339128D+01  0.527449D-01
               296           297           298           299           300 
      1   0.137258D+01  0.107982D+00 -0.151707D+01 -0.159212D+01  0.157549D+00
      2  -0.141753D+01  0.266248D+01  0.280752D+00 -0.588607D+00  0.604893D+01
      3  -0.306396D+01  0.109192D+01 -0.541575D+01 -0.666448D+01  0.239705D+01
               301           302           303           304           305 
      1  -0.165131D+01 -0.147419D+01 -0.163472D+00  0.127319D+00  0.136226D+01
      2   0.357868D+01 -0.126542D+01  0.161080D+01  0.220782D+01  0.143011D+01
      3  -0.355081D+01 -0.495566D+01  0.340069D+01  0.376513D-01  0.305940D+01
               306           307           308           309           310 
      1   0.116191D+00  0.874539D+00 -0.731759D-01 -0.195822D+00 -0.135147D+01
      2  -0.263670D+01 -0.371808D+01 -0.633172D+00  0.307487D+00 -0.750947D+00
      3  -0.109157D+01  0.282183D+01 -0.964764D+00 -0.446457D+00 -0.141334D+01
               311           312           313           314           315 
      1   0.535449D+01  0.587024D+00 -0.661365D-01  0.290587D+01  0.116016D+01
      2  -0.621150D+01 -0.808713D+01 -0.308108D+00 -0.541989D+01 -0.644528D+01
      3   0.164026D+02  0.755449D+01 -0.902239D+00  0.586097D+01  0.592111D+01
               316           317           318           319           320 
      1  -0.276686D+01 -0.105807D+01  0.255860D+01 -0.115477D+01  0.320500D+00
      2   0.206851D+00  0.185631D+01 -0.328870D+01  0.703727D+00 -0.117748D+01
      3  -0.194678D+01 -0.946187D+00 -0.692945D-01  0.299382D+00 -0.777256D-01
               321           322           323           324           325 
      1   0.193134D+01 -0.159849D+01  0.606891D+00  0.694484D+01  0.152976D+01
      2  -0.148080D+01 -0.114746D+01  0.263948D+01 -0.142534D+02 -0.199657D+01
      3   0.166701D+01 -0.204672D+01  0.136792D+01 -0.140788D+01  0.197887D-01
               326           327           328           329           330 
      1   0.144510D+01 -0.126366D+01 -0.286955D+01 -0.102436D+02  0.414142D+00
      2   0.264707D+00  0.178413D+01  0.301683D+01 -0.388785D+00  0.892692D+00
      3   0.971638D+00 -0.844336D+00  0.381024D+00 -0.125109D+02  0.200551D+01
               331           332           333 
      1  -0.299664D+01 -0.277257D+01  0.408088D+00
      2   0.153139D+01  0.192165D+01 -0.687304D+00
      3  -0.839702D+00 -0.275949D+01  0.531448D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.199599D+02  0.244083D+02 -0.199657D+02  0.301993D+02 -0.309959D+01
      2   0.124595D+02 -0.138800D+02  0.991088D+01 -0.177282D+02  0.299998D+01
      3   0.750037D+01 -0.105283D+02  0.100548D+02 -0.124711D+02  0.996114D-01
      4   0.226352D+02 -0.721170D+01  0.427155D+01 -0.944313D+01 -0.119746D+02
      5  -0.200811D+02  0.552577D+01 -0.791076D+01  0.997917D+01 -0.188680D+02
      6   0.688401D+01 -0.102078D+01 -0.400309D+00 -0.488250D+01 -0.520847D+01
                 6             7             8             9            10 
      1   0.756704D+01 -0.166201D+02  0.533145D+01 -0.378951D+01 -0.195601D+02
      2  -0.466190D+01  0.810231D+01 -0.337151D+01  0.303694D+00  0.121217D+02
      3  -0.290514D+01  0.851779D+01 -0.195994D+01  0.348581D+01  0.743842D+01
      4  -0.164507D+02  0.480483D+01 -0.134358D+02 -0.391778D+01 -0.227131D+02
      5  -0.568373D+01 -0.791296D+01 -0.386320D+01  0.499349D+01  0.199232D+02
      6  -0.667487D+01  0.706019D+00 -0.567201D+01 -0.161653D+01  0.690254D+01
                11            12            13            14            15 
      1  -0.244217D+02  0.198819D+02 -0.302306D+02 -0.352184D+01  0.742638D+01
      2   0.138403D+02 -0.982478D+01  0.177000D+02  0.325271D+01 -0.454139D+01
      3   0.105814D+02 -0.100571D+02  0.125306D+02  0.269128D+00 -0.288499D+01
      4  -0.756122D+01  0.424411D+01 -0.985315D+01  0.118884D+02  0.165206D+02
      5   0.542775D+01 -0.784023D+01  0.986939D+01  0.189558D+02  0.570157D+01
      6   0.109629D+01  0.433921D+00  0.498026D+01 -0.509974D+01 -0.662592D+01
                16            17            18            19            20 
      1   0.165118D+02  0.519814D+01 -0.371988D+01  0.140810D+02  0.131199D+02
      2  -0.800599D+01 -0.325567D+01  0.287862D+00 -0.152320D+02 -0.944783D+01
      3  -0.850582D+01 -0.194247D+01  0.343202D+01  0.115095D+01 -0.367209D+01
      4   0.477003D+01  0.134925D+02  0.392499D+01  0.594129D+01  0.468282D+00
      5  -0.783907D+01  0.388380D+01 -0.502920D+01 -0.113436D+02 -0.334257D+01
      6  -0.677630D+00 -0.565280D+01 -0.162468D+01 -0.813578D+01  0.101703D+01
                21            22            23            24            25 
      1  -0.117254D+02  0.695129D+01  0.210879D+01  0.147569D+01 -0.576947D+01
      2   0.113057D+02 -0.511031D+01 -0.846578D+01  0.762886D+00  0.612018D+01
      3   0.419669D+00 -0.184098D+01  0.635699D+01 -0.223857D+01 -0.350714D+00
      4  -0.136933D+01  0.176278D+00 -0.116451D+02 -0.197105D+01 -0.153287D+01
      5   0.870489D+01 -0.235392D+01 -0.293894D+01  0.164293D+01  0.626302D+01
      6   0.181789D+01 -0.905650D-01  0.477006D+01  0.410827D+01  0.463078D+00
                26            27            28            29            30 
      1  -0.420389D+00  0.103920D+02 -0.127035D+02 -0.142154D-02  0.208439D-01
      2  -0.176629D+00  0.408158D+01  0.300161D+01 -0.312578D-02 -0.246809D-01
      3   0.597018D+00 -0.144736D+02  0.970191D+01  0.454732D-02  0.383705D-02
      4   0.822451D-04 -0.109695D+01  0.203418D-02 -0.737688D+01 -0.484277D+01
      5  -0.144776D+00  0.664802D+01  0.164437D-01 -0.287254D+01 -0.371701D+01
      6   0.377686D+01  0.218521D+01 -0.250056D+01 -0.859222D-02  0.716484D-02
                31            32            33            34            35 
      1  -0.249786D-02  0.319199D+01 -0.542043D+01  0.148206D-01 -0.775938D+01
      2   0.956058D-03 -0.118204D+02  0.653760D+01 -0.224744D-01  0.848094D+01
      3   0.154180D-02  0.862841D+01 -0.111717D+01  0.765382D-02 -0.721558D+00
      4  -0.834975D+01  0.736207D-02 -0.236856D-01 -0.775293D+01 -0.192937D-01
      5  -0.281421D+01 -0.593322D-02 -0.208448D-02  0.368357D+01 -0.330002D-02
      6  -0.830101D-02  0.350451D+01 -0.362876D+01  0.871779D-02  0.280903D+01
                36            37            38            39            40 
      1   0.471189D+00 -0.597825D+01  0.153543D+01  0.100312D+02  0.751600D+00
      2   0.844299D+00  0.970077D+01 -0.425820D+01 -0.715971D+01 -0.220712D+00
      3  -0.131549D+01 -0.372252D+01  0.272277D+01 -0.287154D+01 -0.530887D+00
      4  -0.352717D-02  0.107044D+02  0.602047D+01 -0.858599D+01  0.961025D+01
      5   0.109046D-01  0.234252D+01 -0.118693D+02  0.346741D+01 -0.111526D+02
      6  -0.777632D+00 -0.402616D+01 -0.542217D+01  0.665871D+01 -0.439032D+01
                41            42            43            44            45 
      1  -0.687195D+01 -0.525415D+01  0.918865D+01 -0.565190D+01  0.614190D+01
      2   0.478119D+01 -0.436570D+01 -0.477769D+01 -0.953653D+00  0.144256D+01
      3   0.209076D+01  0.961985D+01 -0.441096D+01  0.660556D+01 -0.758447D+01
      4   0.749844D+01 -0.971900D+01 -0.372344D+01 -0.693796D+01  0.275576D+01
      5  -0.493236D+01  0.367235D+01  0.273766D+01  0.123701D+01  0.692211D+00
      6  -0.346392D+01  0.185695D+01  0.457154D+01  0.360193D+00  0.604788D+01
                46            47            48            49            50 
      1  -0.807593D+01  0.136185D+01 -0.140783D+02  0.155975D+01 -0.612705D+00
      2   0.214589D+01 -0.209572D+01  0.178078D+02 -0.504643D+01  0.156945D+00
      3   0.593004D+01  0.733875D+00 -0.372950D+01  0.348669D+01  0.455759D+00
      4  -0.122442D+02 -0.881035D+01  0.784547D+01 -0.127616D+02 -0.931683D+01
      5  -0.369779D+01  0.134728D+02 -0.922950D+01  0.136346D+02  0.121665D+02
      6   0.936953D+00  0.152013D+02 -0.970728D+01  0.153674D+02  0.123329D+02
                51            52            53            54            55 
      1   0.650179D+01 -0.171863D+02  0.751922D+01 -0.910379D+01  0.264295D+01
      2   0.644421D+01  0.202884D+02  0.395269D+01  0.477505D+01 -0.259994D+01
      3  -0.129460D+02 -0.310213D+01 -0.114719D+02  0.432874D+01 -0.430091D-01
      4   0.201914D+02  0.116020D+02  0.241146D+02 -0.113238D+02  0.367653D+01
      5  -0.212707D+01 -0.139750D+02 -0.462572D+01  0.161347D+01  0.147200D+01
      6  -0.546683D+01 -0.124877D+02 -0.569475D+01  0.241613D+01  0.623722D+01
                56            57            58            59            60 
      1   0.416691D+01  0.114150D+02  0.248169D+01  0.157856D+02  0.313918D+01
      2  -0.601069D+01 -0.204519D+02 -0.116787D+01 -0.234812D+02 -0.136017D+02
      3   0.184378D+01  0.903693D+01 -0.131382D+01  0.769560D+01  0.104625D+02
      4  -0.687020D+01  0.143479D+01 -0.339515D+01 -0.102875D+02 -0.200405D+02
      5  -0.360798D+01 -0.113872D+01 -0.368633D+01 -0.873635D+01 -0.416235D+01
      6  -0.181278D+02  0.362937D+01 -0.175902D+02 -0.192630D+02 -0.120255D+02
                61            62            63            64            65 
      1   0.145070D+02  0.788152D+01  0.106680D+02  0.293161D+01 -0.480116D+01
      2  -0.225471D+02 -0.177156D+02 -0.144879D+02 -0.221144D+01  0.395337D+01
      3   0.804011D+01  0.983411D+01  0.381986D+01 -0.720164D+00  0.847795D+00
      4   0.243517D+01 -0.242462D+02  0.148095D+01  0.721625D+01  0.153400D+01
      5  -0.477950D+00 -0.364723D+01 -0.119146D+01  0.283090D+01 -0.300020D+01
      6   0.421752D+01 -0.180733D+02 -0.999628D+00 -0.673732D+01  0.801442D+01
                66            67            68            69            70 
      1  -0.105013D+01 -0.444428D+01 -0.108939D+02 -0.532554D+01 -0.236939D+01
      2   0.106608D+02  0.509983D+00  0.120802D+02  0.801269D+01  0.103029D+02
      3  -0.961067D+01  0.393429D+01 -0.118636D+01 -0.268715D+01 -0.793353D+01
      4  -0.265811D+01 -0.204926D+01  0.133226D+02  0.117450D+02 -0.306318D+01
      5  -0.261087D+01 -0.204699D+01  0.151724D+01  0.279846D+01 -0.161656D+01
      6  -0.248590D-01  0.922528D+01  0.125684D+02  0.701855D+01 -0.172405D+01
                71            72            73            74            75 
      1  -0.305790D+01  0.374472D+00  0.141913D+02 -0.130843D+02  0.116931D+02
      2   0.263240D+01  0.604642D+01 -0.153004D+02  0.943723D+01 -0.113129D+02
      3   0.425494D+00 -0.642090D+01  0.110907D+01  0.364709D+01 -0.380239D+00
      4   0.687760D+01 -0.130600D+01 -0.582261D+01  0.299585D+00 -0.130151D+01
      5   0.174635D+01 -0.524070D+01  0.113839D+02 -0.333138D+01  0.874661D+01
      6   0.415200D+01 -0.373221D+01 -0.808761D+01 -0.107564D+01 -0.182287D+01
                76            77            78            79            80 
      1  -0.690216D+01  0.191495D+01  0.148012D+01  0.577595D+01 -0.440725D+00
      2   0.508347D+01 -0.832139D+01  0.690623D+00 -0.614082D+01 -0.228673D+00
      3   0.181868D+01  0.640645D+01 -0.217074D+01  0.364866D+00  0.669398D+00
      4   0.495740D-01  0.116830D+02  0.198487D+01 -0.149744D+01  0.125992D-01
      5  -0.233187D+01  0.291556D+01 -0.159541D+01  0.628663D+01  0.179712D+00
      6   0.302671D-01  0.474566D+01  0.409522D+01 -0.465602D+00  0.376485D+01
                81            82            83            84            85 
      1   0.104430D+02 -0.584749D+01 -0.150931D+01 -0.999635D+01 -0.756718D+00
      2   0.404874D+01  0.959858D+01  0.430628D+01  0.717031D+01  0.313486D+00
      3  -0.144918D+02 -0.375110D+01 -0.279697D+01  0.282604D+01  0.443232D+00
      4   0.114042D+01 -0.108064D+02  0.602901D+01 -0.870009D+01  0.960434D+01
      5  -0.662433D+01 -0.226956D+01 -0.119314D+02  0.345078D+01 -0.112060D+02
      6   0.221420D+01 -0.406342D+01  0.542988D+01 -0.668336D+01  0.437972D+01
                86            87            88            89            90 
      1  -0.681885D+01 -0.538989D+01 -0.919033D+01 -0.577298D+01  0.610174D+01
      2   0.477982D+01 -0.425758D+01  0.480503D+01 -0.856740D+00  0.139105D+01
      3   0.203903D+01  0.964747D+01  0.438530D+01  0.662972D+01 -0.749279D+01
      4  -0.752740D+01  0.969983D+01 -0.381435D+01  0.691871D+01 -0.274209D+01
      5   0.485043D+01 -0.369832D+01  0.269827D+01 -0.126033D+01 -0.692813D+00
      6  -0.342210D+01  0.178413D+01 -0.459299D+01  0.319933D+00  0.602604D+01
                91            92            93            94            95 
      1  -0.820889D+01 -0.139769D+01  0.139991D+02 -0.154226D+01 -0.723141D+00
      2   0.223863D+01  0.212618D+01 -0.178130D+02  0.501179D+01  0.226294D+00
      3   0.597026D+01 -0.728485D+00  0.381399D+01 -0.346953D+01  0.496846D+00
      4   0.122868D+02 -0.884359D+01  0.807623D+01 -0.127880D+02  0.931805D+01
      5   0.358858D+01  0.136193D+02 -0.922152D+01  0.137602D+02 -0.120891D+02
      6   0.107752D+01 -0.152276D+02  0.963775D+01 -0.153676D+02  0.121670D+02
                96            97            98            99           100 
      1   0.673404D+01  0.170851D+02  0.780927D+01 -0.914482D+01  0.271580D+01
      2   0.621104D+01 -0.202414D+02  0.365834D+01  0.486625D+01 -0.269182D+01
      3  -0.129451D+02  0.315629D+01 -0.114676D+02  0.427857D+01 -0.239866D-01
      4  -0.201615D+02  0.118570D+02 -0.240492D+02  0.111810D+02 -0.361507D+01
      5   0.209490D+01 -0.139723D+02  0.454274D+01 -0.162186D+01 -0.146602D+01
      6  -0.538028D+01  0.123830D+02 -0.558154D+01  0.240767D+01  0.607738D+01
               101           102           103           104           105 
      1  -0.410990D+01 -0.114595D+02 -0.242617D+01  0.156221D+02  0.288152D+01
      2   0.593086D+01  0.205571D+02  0.107386D+01 -0.232218D+02 -0.132344D+02
      3  -0.182096D+01 -0.909753D+01  0.135231D+01  0.759967D+01  0.103529D+02
      4  -0.701166D+01  0.120864D+01 -0.346659D+01  0.102455D+02  0.201112D+02
      5  -0.373446D+01 -0.117143D+01 -0.380129D+01  0.877290D+01  0.422937D+01
      6   0.182615D+02 -0.349365D+01  0.176894D+02 -0.189824D+02 -0.120745D+02
               106           107           108           109           110 
      1  -0.145650D+02  0.760377D+01  0.106906D+02  0.292281D+01  0.483117D+01
      2   0.226584D+02 -0.173469D+02 -0.145586D+02 -0.224397D+01 -0.395371D+01
      3  -0.809337D+01  0.974318D+01  0.386802D+01 -0.678841D+00 -0.877453D+00
      4   0.215685D+01  0.243855D+02 -0.128663D+01 -0.718125D+01  0.158706D+01
      5  -0.497730D+00  0.376505D+01  0.121948D+01 -0.280664D+01 -0.296632D+01
      6  -0.405062D+01 -0.181716D+02 -0.106719D+01 -0.666049D+01 -0.809790D+01
               111           112           113           114           115 
      1   0.108035D+01  0.450491D+01 -0.107134D+02 -0.522987D+01  0.240346D+01
      2  -0.106978D+02 -0.556759D+00  0.118792D+02  0.783706D+01 -0.103268D+02
      3   0.961744D+01 -0.394815D+01 -0.116579D+01 -0.260720D+01  0.792332D+01
      4  -0.254622D+01 -0.201364D+01 -0.133836D+02 -0.117918D+02 -0.297098D+01
      5  -0.258076D+01 -0.201650D+01 -0.157122D+01 -0.284005D+01 -0.159791D+01
      6  -0.372452D-01 -0.929682D+01  0.124793D+02  0.704000D+01  0.166988D+01
               116           117           118           119           120 
      1  -0.301201D+01  0.356327D+00  0.324647D+02 -0.267228D+01  0.106517D+02
      2   0.251972D+01  0.611132D+01 -0.184970D+02  0.544243D+01 -0.755301D+01
      3   0.492293D+00 -0.646764D+01 -0.139678D+02 -0.277014D+01 -0.309865D+01
      4  -0.692299D+01  0.124387D+01  0.162249D+02  0.763069D+01  0.334906D+01
      5  -0.177879D+01  0.524554D+01  0.107632D+02 -0.190052D+01  0.958205D+01
      6   0.420303D+01 -0.368243D+01  0.526056D+01 -0.731880D+00  0.536449D+01
               121           122           123           124           125 
      1  -0.832615D+01  0.649554D+01 -0.420259D+01  0.171221D+02 -0.334636D+01
      2   0.747326D+01 -0.567935D+01  0.285024D+01 -0.126317D+02  0.497590D+01
      3   0.852895D+00 -0.816197D+00  0.135235D+01 -0.449035D+01 -0.162954D+01
      4   0.387158D+01 -0.265317D+00  0.307459D+00  0.736091D+01  0.240576D+01
      5  -0.333784D+01  0.258591D+01 -0.230688D+01  0.135535D+02 -0.101336D+00
      6  -0.161904D+01  0.680235D+00  0.349830D+00  0.790888D+01  0.188145D+01
               126           127           128           129           130 
      1   0.952441D+01  0.147789D+02  0.673102D+01 -0.377205D+01  0.237892D+01
      2  -0.808620D+01 -0.371378D+00  0.451911D+01 -0.667610D+00  0.101969D+02
      3  -0.143821D+01 -0.144075D+02 -0.112501D+02  0.443966D+01 -0.125758D+02
      4   0.568382D+01  0.284698D+02  0.229887D+02 -0.122203D+02  0.247283D+02
      5   0.127900D+02 -0.112819D+02 -0.909708D+01  0.100946D+02 -0.864794D+01
      6   0.807201D+01 -0.108233D+02 -0.923696D+01  0.832912D+01 -0.115137D+02
               131           132           133           134           135 
      1  -0.629899D+01  0.148919D+01 -0.240583D+01  0.162205D+01  0.159595D-01
      2   0.235347D+02 -0.723170D+01 -0.271227D+01 -0.773146D+01  0.195862D+01
      3  -0.172357D+02  0.574252D+01  0.511809D+01  0.610941D+01 -0.197458D+01
      4   0.319686D+02 -0.141184D+02 -0.182089D+02 -0.190079D+02  0.169612D+02
      5  -0.112294D+02  0.791303D+01  0.148555D+02  0.120406D+02 -0.151913D+02
      6  -0.169626D+02  0.125550D+02  0.143058D+02  0.166554D+02 -0.177779D+02
               136           137           138           139           140 
      1  -0.561112D+01  0.837665D+01 -0.397783D+01  0.467763D+01 -0.160609D+02
      2   0.864142D+01 -0.150256D+02  0.647009D+01 -0.786787D+01  0.268454D+02
      3  -0.303030D+01  0.664898D+01 -0.249227D+01  0.319024D+01 -0.107845D+02
      4  -0.152793D+02  0.866836D+01 -0.638961D+01  0.660654D+01 -0.480217D+01
      5   0.150838D+01 -0.396273D+00  0.157940D+01 -0.416514D+00  0.814223D+00
      6  -0.792503D+01  0.680578D+01 -0.760620D+01  0.448876D+01 -0.732277D+01
               141           142           143           144           145 
      1   0.464886D+01 -0.656521D+01  0.965288D+01 -0.895840D+01 -0.174697D+01
      2  -0.645912D+01  0.719664D+01 -0.138333D+02  0.985778D+01  0.807695D+01
      3   0.181026D+01 -0.631427D+00  0.418044D+01 -0.899372D+00 -0.632997D+01
      4   0.369573D+01 -0.871737D+01  0.591075D+01 -0.517660D+01  0.118494D+02
      5   0.381455D+00  0.180668D+01  0.607150D+00 -0.232675D+00  0.331507D+01
      6   0.841635D+01 -0.730937D+01  0.144009D+02 -0.159226D+02  0.540678D+01
               146           147           148           149           150 
      1  -0.261996D+01 -0.182919D+01 -0.385903D+01 -0.318903D+02 -0.110656D+02
      2   0.111182D+02  0.461228D+01  0.108055D+02  0.590926D+02  0.180886D+02
      3  -0.849821D+01 -0.278308D+01 -0.694646D+01 -0.272023D+02 -0.702303D+01
      4   0.183289D+02  0.621965D+01  0.132308D+02  0.249580D+02  0.922201D+01
      5   0.523670D+01  0.453622D+01  0.317878D+01  0.871178D+01  0.498061D+01
      6   0.787327D+01  0.450784D+01  0.711649D+01  0.261111D+02  0.168805D+02
               151           152           153           154           155 
      1  -0.307584D+01 -0.168701D+02 -0.125691D+02 -0.569915D+01 -0.843918D+01
      2   0.592093D+01  0.253839D+02  0.152864D+02  0.871820D+01  0.150937D+02
      3  -0.284509D+01 -0.851380D+01 -0.271732D+01 -0.301905D+01 -0.665453D+01
      4   0.672361D+01  0.145172D+02  0.875479D+01  0.151700D+02  0.865648D+01
      5   0.447708D+01  0.796998D+01  0.704484D+01 -0.145526D+01 -0.367570D+00
      6   0.581301D+01  0.258169D+02  0.202442D+02 -0.786573D+01 -0.680515D+01
               156           157           158           159           160 
      1   0.400543D+01 -0.471793D+01 -0.162263D+02  0.471163D+01  0.659279D+01
      2  -0.650084D+01  0.790349D+01  0.271261D+02 -0.656324D+01 -0.722788D+01
      3   0.249541D+01 -0.318555D+01 -0.108999D+02  0.185161D+01  0.635100D+00
      4  -0.631969D+01  0.661858D+01  0.473925D+01 -0.367053D+01 -0.862256D+01
      5   0.154279D+01 -0.399835D+00 -0.783908D+00 -0.409991D+00  0.177109D+01
      6   0.755334D+01 -0.448931D+01 -0.740999D+01  0.845668D+01  0.723878D+01
               161           162           163           164           165 
      1   0.974958D+01 -0.898995D+01 -0.167419D+01  0.259948D+01  0.183432D+01
      2  -0.139750D+02  0.992974D+01  0.805436D+01 -0.111651D+02 -0.465054D+01
      3   0.422546D+01 -0.939788D+00 -0.638017D+01  0.856562D+01  0.281622D+01
      4  -0.585901D+01  0.508692D+01 -0.120311D+02  0.184365D+02  0.630992D+01
      5  -0.661944D+00  0.297657D+00 -0.339350D+01  0.531331D+01  0.460116D+01
      6   0.144413D+02 -0.158818D+02  0.547891D+01 -0.797311D+01 -0.459798D+01
               166           167           168           169           170 
      1   0.385837D+01 -0.315549D+02 -0.109873D+02  0.309513D+01 -0.167633D+02
      2  -0.108569D+02  0.585521D+02  0.179823D+02 -0.597114D+01  0.252422D+02
      3   0.699852D+01 -0.269972D+02 -0.699497D+01  0.287600D+01 -0.847888D+01
      4   0.133232D+02 -0.251102D+02 -0.932932D+01  0.684611D+01 -0.146865D+02
      5   0.324124D+01 -0.879417D+01 -0.504150D+01  0.455511D+01 -0.808412D+01
      6  -0.720828D+01  0.260361D+02  0.168710D+02 -0.593871D+01  0.258186D+02
               171           172           173           174           175 
      1  -0.125301D+02  0.325741D+02  0.276131D+01 -0.106491D+02  0.843207D+01
      2   0.152141D+02 -0.186023D+02 -0.547067D+01  0.756838D+01 -0.751969D+01
      3  -0.268401D+01 -0.139719D+02  0.270937D+01  0.308076D+01 -0.912380D+00
      4  -0.890693D+01 -0.160488D+02  0.759619D+01  0.326003D+01  0.387515D+01
      5  -0.717132D+01 -0.107436D+02 -0.195639D+01  0.957304D+01 -0.338464D+01
      6   0.203279D+02  0.519932D+01  0.751180D+00 -0.531106D+01  0.163461D+01
               176           177           178           179           180 
      1   0.657154D+01 -0.424520D+01 -0.171428D+02 -0.342112D+01  0.955606D+01
      2  -0.576088D+01  0.287721D+01  0.126671D+02  0.502039D+01 -0.812784D+01
      3  -0.810656D+00  0.136799D+01  0.447570D+01 -0.159927D+01 -0.142822D+01
      4   0.384180D+00 -0.317181D+00  0.720581D+01 -0.239441D+01 -0.557970D+01
      5  -0.261668D+01  0.235071D+01  0.135581D+02  0.177138D+00 -0.127894D+02
      6   0.667546D+00  0.331338D+00 -0.784126D+01  0.183646D+01  0.799706D+01
               181           182           183           184           185 
      1   0.150378D+02 -0.682377D+01  0.385341D+01 -0.248089D+01 -0.610159D+01
      2  -0.513548D+00 -0.446247D+01  0.613779D+00 -0.101270D+02  0.232920D+02
      3  -0.145242D+02  0.112862D+02 -0.446719D+01  0.126079D+02 -0.171904D+02
      4  -0.286216D+02  0.230295D+02 -0.122625D+02  0.247884D+02 -0.319410D+02
      5   0.113773D+02 -0.913206D+01  0.101391D+02 -0.868073D+01  0.112097D+02
      6  -0.108562D+02  0.922773D+01 -0.832791D+01  0.114922D+02 -0.168300D+02
               186           187           188           189           190 
      1   0.139471D+01  0.252419D+01  0.148506D+01  0.134655D+00  0.194141D+02
      2  -0.712120D+01  0.261282D+01 -0.757560D+01  0.184657D+01 -0.158156D+02
      3   0.572649D+01 -0.513702D+01  0.609055D+01 -0.198123D+01 -0.359852D+01
      4   0.140884D+02 -0.182505D+02  0.189496D+02 -0.169378D+02  0.159116D+01
      5  -0.791026D+01  0.149177D+02 -0.120259D+02  0.152198D+02  0.146423D+02
      6   0.124797D+02 -0.142815D+02  0.165373D+02 -0.176841D+02  0.801996D+00
               191           192           193           194           195 
      1   0.519037D+01  0.707908D+01  0.757341D+01  0.540195D+01  0.362412D+01
      2  -0.689772D+01 -0.878407D+01 -0.840480D+01 -0.593790D+01 -0.588581D+01
      3   0.170735D+01  0.170499D+01  0.831386D+00  0.535947D+00  0.226169D+01
      4   0.594058D+01  0.183087D+01  0.930145D+00  0.756928D+01  0.390427D+00
      5   0.476764D+01  0.100320D+02  0.106640D+02  0.275183D+01  0.729623D+01
      6   0.135106D+01 -0.417439D+00  0.756353D+00  0.283101D+01  0.252683D+00
               196           197           198           199           200 
      1   0.338384D+01  0.139143D+01  0.180739D+01 -0.263345D+01 -0.216687D+01
      2  -0.656120D+01 -0.214280D+01 -0.746546D+01 -0.139371D+01  0.111422D+01
      3   0.317736D+01  0.751370D+00  0.565807D+01  0.402716D+01  0.105265D+01
      4   0.321383D+01  0.382636D-01  0.221704D+01  0.596724D+01 -0.281762D+01
      5   0.740455D+01  0.382719D+01  0.818854D+01 -0.238076D+01  0.232449D+01
      6   0.513751D+00  0.140778D+01 -0.559017D+00  0.200112D-01 -0.310335D+01
               201           202           203           204           205 
      1   0.675716D+01 -0.619126D+00 -0.470833D+01  0.601295D+01  0.280730D+01
      2   0.103062D+01 -0.509370D+00  0.206377D+01 -0.854709D+00 -0.136430D+01
      3  -0.778778D+01  0.112850D+01  0.264456D+01 -0.515824D+01 -0.144300D+01
      4   0.543547D+00  0.138641D+01 -0.171719D+01  0.306928D+00 -0.267983D+01
      5  -0.444529D+00  0.565385D+00  0.875114D+00 -0.169113D+01  0.396733D+01
      6   0.556566D+01 -0.725753D+00 -0.572151D+01  0.832740D+01  0.565075D-01
               206           207           208           209           210 
      1   0.528370D+01 -0.172677D+02 -0.117342D-01 -0.726234D+01 -0.428110D+01
      2  -0.227639D+00 -0.109317D+02 -0.305222D+00  0.913628D+01  0.179193D+01
      3  -0.505606D+01  0.281994D+02  0.316956D+00 -0.187394D+01  0.248917D+01
      4   0.267818D+01  0.654850D+00  0.169637D+02  0.699025D+01  0.764583D+01
      5  -0.196754D+01  0.107136D+02  0.890215D+01  0.518749D+01  0.533951D+01
      6   0.701457D+01 -0.165849D+02  0.913640D+01  0.106612D+02  0.968550D+01
               211           212           213           214           215 
      1  -0.218682D+01 -0.243130D+01 -0.141107D+01 -0.169928D+01 -0.851956D+00
      2   0.291595D+01  0.605210D+01  0.939370D+00 -0.464258D+00 -0.171120D+01
      3  -0.729123D+00 -0.362080D+01  0.471702D+00  0.216354D+01  0.256315D+01
      4   0.769533D+01  0.746667D+01  0.468119D+01  0.433829D+01  0.414414D+01
      5   0.290517D+01  0.291355D+01  0.230788D+01  0.453070D+01  0.208379D+01
      6   0.536877D+01  0.422867D+01  0.491823D+01  0.534819D+01  0.440043D+01
               216           217           218           219           220 
      1  -0.362732D+01 -0.569599D+00  0.314146D+01  0.226862D+01  0.129267D+00
      2  -0.205780D+01 -0.334387D+01 -0.422799D+01  0.592988D+01 -0.123761D+01
      3   0.568512D+01  0.391347D+01  0.108653D+01 -0.819850D+01  0.110834D+01
      4   0.514014D+01 -0.346483D+01  0.407140D+01  0.423077D+01  0.463475D+00
      5   0.352074D+01 -0.477780D+01  0.171478D+01  0.794820D+01  0.470335D+00
      6   0.782131D+01  0.437236D+01 -0.281457D+01 -0.673761D+01  0.428899D-02
               221           222           223           224           225 
      1   0.290650D+01  0.169790D+01  0.161445D+01 -0.423596D+01 -0.113373D+02
      2  -0.574245D+01  0.201596D+01  0.353740D+01  0.287140D+01 -0.155271D+02
      3   0.283595D+01 -0.371387D+01 -0.515185D+01  0.136456D+01  0.268644D+02
      4   0.186169D+01  0.770255D+00  0.353943D+01 -0.161813D+01 -0.248756D+01
      5  -0.134668D+01  0.762096D+00  0.551814D+01 -0.893282D+00 -0.935734D+01
      6  -0.223474D+01  0.462859D+00 -0.308296D+01  0.575836D+01  0.178329D+02
               226           227           228           229           230 
      1  -0.923977D+00 -0.257204D+00 -0.151925D+01 -0.531408D+01 -0.111343D+02
      2   0.452486D+01 -0.233897D+01  0.187042D+01  0.132808D+01  0.202771D+02
      3  -0.360089D+01  0.259617D+01 -0.351174D+00  0.398600D+01 -0.914283D+01
      4  -0.266118D+01  0.528528D+01  0.460604D+00  0.760277D+01 -0.203678D+02
      5  -0.189108D+01 -0.194572D+00 -0.322581D+00 -0.442468D+01  0.266304D+01
      6   0.640309D+00  0.370288D+00 -0.100688D+00  0.322224D+01 -0.118155D+02
               231           232           233           234           235 
      1   0.166412D+01 -0.542439D+01  0.205992D+01 -0.417319D+01 -0.286980D+01
      2  -0.183030D+00  0.382990D+01  0.816687D+00  0.229227D+01  0.265339D+00
      3  -0.148109D+01  0.159449D+01 -0.287660D+01  0.188091D+01  0.260447D+01
      4   0.371966D+01  0.184031D+01 -0.215520D+01 -0.178435D+01  0.120982D+01
      5  -0.436561D+01 -0.160322D+01 -0.168459D+01 -0.136713D+00 -0.304597D+00
      6   0.508533D+01  0.285062D+00  0.246496D+01 -0.177355D+01  0.151066D+01
               236           237           238           239           240 
      1   0.106742D+01  0.319633D+01  0.388727D+01 -0.338372D+01  0.108531D+01
      2  -0.171877D+01  0.126552D+01 -0.384523D+01  0.743349D+00 -0.321996D+01
      3   0.651349D+00 -0.446185D+01 -0.420368D-01  0.264037D+01  0.213465D+01
      4  -0.574906D+00  0.256739D+00  0.644408D+00 -0.845382D+00  0.214677D+01
      5   0.145883D+01  0.143055D+01  0.200679D+01  0.142519D+01  0.182124D+01
      6  -0.722405D+00  0.186502D+01 -0.255056D-01 -0.186976D+01  0.428681D+01
               241           242           243           244           245 
      1   0.393431D+01  0.360352D+01 -0.198422D+02  0.660640D-01  0.722985D+01
      2  -0.527312D+01  0.501442D+00 -0.153301D+02 -0.378129D+00 -0.911952D+01
      3   0.133881D+01 -0.410497D+01  0.351722D+02  0.312065D+00  0.188967D+01
      4  -0.149068D+01  0.335581D+01 -0.243477D+01 -0.170228D+02  0.701798D+01
      5   0.638535D+01 -0.346174D+01  0.205936D+02 -0.896229D+01  0.520913D+01
      6  -0.121654D+01  0.519148D+01 -0.956228D+01  0.917861D+01 -0.106351D+02
               246           247           248           249           250 
      1   0.424257D+01  0.214324D+01 -0.235398D+01 -0.136921D+01  0.168063D+01
      2  -0.174784D+01 -0.288440D+01  0.595754D+01  0.899829D+00  0.495771D+00
      3  -0.249472D+01  0.741167D+00 -0.360355D+01  0.469376D+00 -0.217640D+01
      4   0.769744D+01  0.767438D+01 -0.744922D+01 -0.466634D+01  0.436878D+01
      5   0.539317D+01  0.290449D+01 -0.289666D+01 -0.230194D+01  0.456494D+01
      6  -0.969696D+01 -0.534323D+01  0.416628D+01  0.488891D+01 -0.535634D+01
               251           252           253           254           255 
      1  -0.830145D+00 -0.360572D+01 -0.580200D+00 -0.319035D+01 -0.230832D+01
      2  -0.173408D+01 -0.208696D+01 -0.334615D+01  0.426531D+01 -0.591257D+01
      3   0.256422D+01  0.569268D+01  0.392635D+01 -0.107496D+01  0.822089D+01
      4  -0.412901D+01 -0.515009D+01  0.347191D+01  0.407271D+01  0.426616D+01
      5  -0.208499D+01 -0.355292D+01  0.477213D+01  0.172581D+01  0.794521D+01
      6   0.439702D+01  0.783584D+01  0.439748D+01  0.285618D+01  0.679502D+01
               256           257           258           259           260 
      1  -0.148241D+00  0.291186D+01  0.168303D+01 -0.162825D+01 -0.426850D+01
      2   0.125244D+01 -0.573309D+01  0.197661D+01 -0.353437D+01  0.286159D+01
      3  -0.110420D+01  0.282123D+01 -0.365963D+01  0.516262D+01  0.140692D+01
      4   0.482524D+00 -0.180439D+01 -0.753358D+00  0.355633D+01  0.161527D+01
      5   0.483360D+00  0.136359D+01 -0.729539D+00  0.551336D+01  0.905093D+00
      6   0.248110D-01 -0.220351D+01  0.498385D+00  0.310212D+01  0.580013D+01
               261           262           263           264           265 
      1  -0.113558D+02  0.195468D+02 -0.521782D+01 -0.709473D+01 -0.757197D+01
      2  -0.154754D+02 -0.158954D+02  0.691734D+01  0.878130D+01  0.838207D+01
      3   0.268313D+02 -0.365137D+01 -0.169952D+01 -0.168657D+01 -0.810095D+00
      4   0.253069D+01 -0.152202D+01  0.594375D+01  0.177979D+01  0.901918D+00
      5   0.931787D+01 -0.146682D+02  0.472908D+01  0.100096D+02  0.106182D+02
      6   0.179050D+02  0.772339D+00 -0.134866D+01  0.445572D+00 -0.734214D+00
               266           267           268           269           270 
      1   0.542012D+01  0.360551D+01 -0.338465D+01  0.137676D+01  0.182132D+01
      2  -0.591422D+01 -0.583179D+01  0.654063D+01 -0.209636D+01 -0.742195D+01
      3   0.494103D+00  0.222627D+01 -0.315598D+01  0.719603D+00  0.560062D+01
      4  -0.753243D+01 -0.336164D+00  0.319545D+01  0.671640D-02 -0.218575D+01
      5  -0.268306D+01 -0.723365D+01  0.736445D+01 -0.379553D+01 -0.811416D+01
      6   0.281748D+01  0.215418D+00 -0.499241D+00  0.138098D+01 -0.569570D+00
               271           272           273           274           275 
      1  -0.258770D+01  0.215719D+01 -0.675144D+01  0.596679D+00 -0.467789D+01
      2  -0.144277D+01 -0.113522D+01 -0.102918D+01  0.511883D+00  0.204500D+01
      3   0.403047D+01 -0.102197D+01  0.778062D+01 -0.110856D+01  0.263289D+01
      4  -0.595538D+01 -0.282834D+01  0.529938D+00  0.135874D+01  0.169094D+01
      5   0.235883D+01  0.232786D+01 -0.429758D+00  0.578587D+00 -0.855210D+00
      6   0.308126D-01  0.310154D+01 -0.555476D+01  0.730920D+00 -0.567156D+01
               276           277           278           279           280 
      1   0.595072D+01 -0.279118D+01  0.525527D+01 -0.172660D+02  0.651713D+01
      2  -0.857725D+00  0.136130D+01 -0.240764D+00 -0.110121D+02 -0.342644D+01
      3  -0.509299D+01  0.142987D+01 -0.501451D+01  0.282781D+02 -0.309069D+01
      4  -0.296919D+00 -0.269584D+01 -0.269449D+01 -0.668538D+00  0.524754D+01
      5   0.165872D+01  0.398101D+01  0.196432D+01 -0.107412D+02  0.808236D+01
      6   0.827259D+01 -0.372178D-01  0.699218D+01 -0.165928D+02  0.241475D+01
               281           282           283           284           285 
      1   0.417524D+01  0.670929D+01  0.782654D+01 -0.767182D+00 -0.221599D+01
      2  -0.170104D+01 -0.369821D+01 -0.397443D+01  0.390887D+01 -0.269896D+00
      3  -0.247420D+01 -0.301108D+01 -0.385211D+01 -0.314169D+01  0.248588D+01
      4   0.532004D+01  0.197189D+01  0.116865D+02  0.250204D+02  0.125817D+02
      5   0.266795D+01  0.508652D+01  0.619234D+01  0.133967D+02  0.143580D+02
      6   0.881786D+00  0.758840D+00  0.424599D+01  0.122194D+02  0.840726D+01
               286           287           288           289           290 
      1   0.781800D+01 -0.213507D+01 -0.111761D+01  0.644289D+02 -0.163476D+02
      2  -0.587515D+01 -0.897709D+00 -0.377910D+01 -0.352592D+02  0.792972D+01
      3  -0.194284D+01  0.303278D+01  0.489671D+01 -0.291697D+02  0.841790D+01
      4   0.348500D+01  0.882648D+01  0.924633D+01 -0.215974D+02  0.134221D+02
      5   0.855900D+01  0.971620D+01  0.137000D+02  0.272014D+02 -0.745002D+01
      6   0.217868D+01  0.752675D+01  0.713012D+01 -0.479022D+01  0.311434D+01
               291           292           293           294           295 
      1   0.166724D+02 -0.250744D+02  0.128134D+02 -0.670674D+01  0.150044D+02
      2  -0.107523D+02  0.123162D+02 -0.522221D+01  0.451949D+01 -0.116515D+02
      3  -0.592003D+01  0.127582D+02 -0.759121D+01  0.218725D+01 -0.335294D+01
      4  -0.642400D+01  0.205925D+02 -0.137106D+02  0.904146D+01 -0.603589D+01
      5   0.169078D+02 -0.121132D+02  0.100688D+02 -0.757853D+01  0.208930D+02
      6  -0.204562D+01  0.557494D+01 -0.354038D+01  0.443166D+01 -0.323268D+01
               296           297           298           299           300 
      1  -0.382623D+01  0.116463D+02  0.641611D+02  0.164708D+02 -0.165453D+02
      2   0.339356D+01 -0.957353D+01 -0.350034D+02 -0.794302D+01  0.106376D+02
      3   0.432663D+00 -0.207275D+01 -0.291577D+02 -0.852777D+01  0.590768D+01
      4   0.589711D+01 -0.570387D+01  0.218814D+02  0.135701D+02 -0.646502D+01
      5  -0.604796D+01  0.129549D+02 -0.269992D+02 -0.746869D+01  0.168004D+02
      6   0.379653D+01 -0.281616D+01 -0.483764D+01 -0.313682D+01  0.207872D+01
               301           302           303           304           305 
      1   0.251756D+02  0.129125D+02 -0.668188D+01 -0.148724D+02 -0.381491D+01
      2  -0.122871D+02 -0.519919D+01  0.447529D+01  0.115253D+02  0.337353D+01
      3  -0.128885D+02 -0.771328D+01  0.220659D+01  0.334718D+01  0.441385D+00
      4   0.208132D+02  0.139488D+02 -0.909148D+01 -0.608203D+01 -0.593444D+01
      5  -0.121134D+02 -0.101086D+02  0.760839D+01  0.207762D+02  0.609312D+01
      6  -0.561196D+01 -0.360265D+01  0.445193D+01  0.328379D+01  0.382314D+01
               306           307           308           309           310 
      1   0.115701D+02  0.663809D+01 -0.420191D+01 -0.671507D+01 -0.792509D+01
      2  -0.948085D+01 -0.348910D+01  0.172320D+01  0.371321D+01  0.404547D+01
      3  -0.208921D+01 -0.314899D+01  0.247870D+01  0.300186D+01  0.387962D+01
      4   0.577065D+01 -0.529866D+01  0.541965D+01  0.201141D+01  0.117834D+02
      5  -0.128462D+02 -0.813437D+01  0.272578D+01  0.516157D+01  0.626095D+01
      6  -0.285037D+01  0.240827D+01 -0.926839D+00 -0.792071D+00 -0.427770D+01
               311           312           313           314           315 
      1  -0.548551D+00 -0.209714D+01 -0.784532D+01 -0.205212D+01 -0.101886D+01
      2   0.371638D+01 -0.362531D+00  0.590415D+01 -0.959799D+00 -0.384337D+01
      3  -0.316783D+01  0.245967D+01  0.194118D+01  0.301192D+01  0.486223D+01
      4  -0.250181D+02 -0.125915D+02  0.349670D+01 -0.883366D+01 -0.924932D+01
      5  -0.134203D+02 -0.143834D+02  0.861450D+01 -0.972824D+01 -0.137248D+02
      6   0.121252D+02  0.833229D+01 -0.219651D+01  0.747544D+01  0.706744D+01
               316           317           318           319           320 
      1  -0.282638D+01 -0.107305D+01 -0.318286D+01 -0.391091D+01 -0.339914D+01
      2   0.230039D+00  0.171198D+01 -0.124671D+01  0.386854D+01  0.763063D+00
      3   0.259634D+01 -0.638930D+00  0.442957D+01  0.423710D-01  0.263608D+01
      4  -0.122266D+01 -0.590435D+00  0.256112D+00  0.606084D+00  0.816841D+00
      5   0.277263D+00  0.145966D+01  0.146060D+01  0.202871D+01 -0.140602D+01
      6   0.151833D+01  0.727976D+00 -0.185923D+01  0.437255D-01 -0.184655D+01
               321           322           323           324           325 
      1   0.105277D+01 -0.392389D+01  0.357045D+01 -0.198346D+02 -0.977271D+00
      2  -0.325577D+01  0.527854D+01  0.487971D+00 -0.153561D+02  0.455107D+01
      3   0.220300D+01 -0.135465D+01 -0.405842D+01  0.351906D+02 -0.357380D+01
      4  -0.213165D+01 -0.151065D+01 -0.335119D+01  0.240131D+01  0.259772D+01
      5  -0.187307D+01  0.639613D+01  0.344647D+01 -0.206236D+02  0.189770D+01
      6   0.425816D+01  0.122714D+01  0.518591D+01 -0.957175D+01  0.645924D+00
               326           327           328           329           330 
      1   0.271668D+00  0.150785D+01  0.531270D+01 -0.112868D+02  0.171539D+01
      2   0.229065D+01 -0.186882D+01 -0.135055D+01  0.204187D+02 -0.240653D+00
      3  -0.256232D+01  0.360964D+00 -0.396215D+01 -0.913187D+01 -0.147474D+01
      4   0.520335D+01  0.475460D+00  0.756640D+01  0.203093D+02 -0.374523D+01
      5  -0.184015D+00 -0.328446D+00 -0.441323D+01 -0.267534D+01  0.435654D+01
      6  -0.327441D+00  0.831782D-01 -0.320296D+01 -0.118886D+02  0.513020D+01
               331           332           333 
      1   0.539667D+01  0.207652D+01 -0.418820D+01
      2  -0.381745D+01  0.797962D+00  0.229315D+01
      3  -0.157921D+01 -0.287448D+01  0.189505D+01
      4   0.185289D+01  0.212854D+01  0.176730D+01
      5  -0.158905D+01  0.167343D+01  0.115753D+00
      6  -0.291964D+00  0.249022D+01 -0.179299D+01
 Leave Link  716 at Fri Jul  9 01:52:19 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154551D+03 -0.139539D-02 -0.152742D-02
      2  -0.139539D-02  0.153034D+03  0.908915D-01
      3  -0.152742D-02  0.908915D-01  0.122587D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.170396D+01 -0.555993D-01 -0.247867D-03
      2  -0.171496D-01  0.541500D+01 -0.149991D+01
      3  -0.205363D-01 -0.161686D+01 -0.707288D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.845132D+02 -0.491313D+00  0.224172D-01
      2   0.907153D+02  0.523643D+00  0.107625D-01
      3  -0.620204D+01 -0.323295D-01 -0.331797D-01
      4  -0.505770D+00  0.931560D+02 -0.456768D+01
      5  -0.629184D-01  0.114506D+01 -0.920798D+01
      6  -0.879031D+01 -0.741582D-01 -0.501113D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.346002D+01 -0.375804D+01  0.296940D+01 -0.555415D+01  0.132759D+01
      2  -0.375804D+01  0.923226D+00 -0.444562D+00  0.132759D+01  0.299316D+01
      3   0.296940D+01 -0.444562D+00  0.814371D+00 -0.125618D+01  0.298969D+01
                 6             7             8             9            10 
      1  -0.125618D+01  0.281489D+01 -0.800185D+00  0.103944D+01  0.340135D+01
      2   0.298969D+01 -0.800185D+00  0.228384D+01  0.762574D+00  0.375841D+01
      3   0.701298D+00  0.103944D+01  0.762574D+00 -0.770999D+00 -0.295765D+01
                11            12            13            14            15 
      1   0.375841D+01 -0.295765D+01  0.556098D+01  0.138918D+01 -0.124404D+01
      2   0.974347D+00 -0.431294D+00  0.138918D+01 -0.297550D+01 -0.299364D+01
      3  -0.431294D+00  0.804010D+00 -0.124404D+01 -0.299364D+01 -0.697633D+00
                16            17            18            19            20 
      1  -0.280090D+01 -0.787673D+00  0.103104D+01 -0.804754D+01 -0.466746D+01
      2  -0.787673D+00 -0.228651D+01 -0.758679D+00 -0.466746D+01 -0.154319D+01
      3   0.103104D+01 -0.758679D+00  0.774505D+00  0.497053D+01  0.138764D+01
                21            22            23            24            25 
      1   0.497053D+01 -0.225154D+01 -0.630549D+00  0.407611D+00  0.352879D+01
      2   0.138764D+01 -0.630549D+00  0.163730D+01  0.144064D+01  0.130007D+01
      3  -0.226542D+01  0.407611D+00  0.144064D+01 -0.840200D+00 -0.202472D+01
                26            27            28            29            30 
      1   0.130007D+01 -0.202472D+01  0.145685D+01  0.852804D-02  0.469707D-02
      2   0.195759D+01 -0.105760D+01  0.852804D-02 -0.165715D+01 -0.152860D+01
      3  -0.105760D+01 -0.155885D+01  0.469707D-02 -0.152860D+01  0.174191D+00
                31            32            33            34            35 
      1   0.101372D-01 -0.165259D+01  0.179504D+01  0.964498D-02 -0.755872D-01
      2  -0.165259D+01 -0.449748D-02  0.309241D-02 -0.755872D-01  0.155061D-01
      3   0.179504D+01  0.309241D-02  0.331210D-02  0.140471D+00  0.356551D-02
                36            37            38            39            40 
      1   0.140471D+00  0.491636D+01  0.372045D+01 -0.194392D+01  0.566802D+01
      2   0.356551D-02  0.372045D+01  0.133001D+01 -0.311636D+01  0.290917D+01
      3   0.278730D-02 -0.194392D+01 -0.311636D+01  0.205075D+01 -0.365488D+01
                41            42            43            44            45 
      1   0.290917D+01 -0.365488D+01 -0.182834D+01 -0.223216D+01  0.253492D+01
      2   0.258778D+01 -0.253280D+01 -0.223216D+01 -0.168961D+01 -0.361734D-01
      3  -0.253280D+01  0.593143D+00  0.253492D+01 -0.361734D-01  0.465698D+00
                46            47            48            49            50 
      1  -0.265156D+01 -0.948252D+00 -0.502014D+00 -0.163641D+01 -0.162558D+01
      2  -0.948252D+00 -0.968512D+00  0.316730D+01 -0.162558D+01 -0.100766D+01
      3  -0.502014D+00  0.316730D+01 -0.188059D+01  0.306938D+01  0.241948D+01
                51            52            53            54            55 
      1   0.306938D+01 -0.158064D+00  0.436502D+01 -0.287554D+01  0.617659D+00
      2   0.241948D+01  0.436502D+01  0.303133D+01 -0.782508D+00 -0.606672D+00
      3  -0.209684D+00 -0.287554D+01 -0.782508D+00  0.279238D+00  0.118802D+01
                56            57            58            59            60 
      1  -0.606672D+00  0.118802D+01 -0.377841D+00 -0.297608D+00 -0.282268D+01
      2  -0.130872D+01 -0.273324D+01 -0.297608D+00 -0.434072D+01 -0.298600D+01
      3  -0.273324D+01  0.900730D+00 -0.282268D+01 -0.298600D+01 -0.150541D+01
                61            62            63            64            65 
      1   0.165687D+01 -0.352149D+01  0.897880D+00  0.122684D+01 -0.326129D-01
      2  -0.352149D+01 -0.459678D+01 -0.267005D+01 -0.326129D-01  0.292285D+01
      3   0.897880D+00 -0.267005D+01 -0.934005D-01 -0.706894D+00  0.212322D+01
                66            67            68            69            70 
      1  -0.706894D+00 -0.380344D+00  0.508801D+00  0.166854D+01 -0.355666D+00
      2   0.212322D+01  0.508801D+00  0.103064D+02  0.484224D+01  0.110619D+01
      3  -0.601272D+00  0.166854D+01  0.484224D+01  0.177672D+01 -0.131100D+01
                71            72            73            74            75 
      1   0.110619D+01 -0.131100D+01 -0.807893D+01  0.464787D+01 -0.497339D+01
      2   0.360203D+01  0.197864D+01  0.464787D+01 -0.150433D+01  0.138211D+01
      3   0.197864D+01 -0.537968D+00 -0.497339D+01  0.138211D+01 -0.227902D+01
                76            77            78            79            80 
      1   0.222505D+01 -0.597075D+00  0.397383D+00 -0.354014D+01  0.130286D+01
      2  -0.597075D+00 -0.164596D+01 -0.144161D+01  0.130286D+01 -0.195971D+01
      3   0.397383D+00 -0.144161D+01  0.822376D+00 -0.203839D+01  0.104310D+01
                81            82            83            84            85 
      1  -0.203839D+01  0.495304D+01 -0.371200D+01  0.195689D+01 -0.566545D+01
      2   0.104310D+01 -0.371200D+01  0.132459D+01 -0.312925D+01  0.289226D+01
      3   0.155760D+01  0.195689D+01 -0.312925D+01  0.204664D+01 -0.366891D+01
                86            87            88            89            90 
      1   0.289226D+01 -0.366891D+01  0.182866D+01 -0.223947D+01  0.252743D+01
      2  -0.257751D+01  0.250535D+01 -0.223947D+01  0.166875D+01  0.433058D-01
      3   0.250535D+01 -0.586373D+00  0.252743D+01  0.433058D-01 -0.454150D+00
                91            92            93            94            95 
      1  -0.267010D+01  0.941237D+00  0.478009D+00  0.163285D+01 -0.162969D+01
      2   0.941237D+00 -0.979986D+00  0.318678D+01 -0.162969D+01  0.100416D+01
      3   0.478009D+00  0.318678D+01 -0.186957D+01  0.308505D+01 -0.239273D+01
                96            97            98            99           100 
      1   0.308505D+01  0.127588D+00  0.438227D+01 -0.286407D+01  0.613318D+00
      2  -0.239273D+01  0.438227D+01 -0.299331D+01  0.763561D+00  0.622688D+00
      3   0.196584D+00 -0.286407D+01  0.763561D+00 -0.282762D+00 -0.116244D+01
               101           102           103           104           105 
      1   0.622688D+00 -0.116244D+01  0.384488D+00 -0.291215D+00 -0.284084D+01
      2  -0.131402D+01 -0.275577D+01 -0.291215D+00  0.430612D+01  0.294804D+01
      3  -0.275577D+01  0.881323D+00 -0.284084D+01  0.294804D+01  0.151616D+01
               106           107           108           109           110 
      1  -0.162309D+01 -0.354979D+01  0.873179D+00  0.122862D+01  0.245420D-01
      2  -0.354979D+01  0.456273D+01  0.268855D+01  0.245420D-01  0.295535D+01
      3   0.873179D+00  0.268855D+01  0.103202D+00  0.687268D+00  0.214484D+01
               111           112           113           114           115 
      1   0.687268D+00  0.380918D+00  0.544755D+00  0.168793D+01  0.345255D+00
      2   0.214484D+01  0.544755D+00 -0.102752D+02 -0.482362D+01  0.112164D+01
      3  -0.590339D+00  0.168793D+01 -0.482362D+01 -0.178578D+01 -0.129749D+01
               116           117           118           119           120 
      1   0.112164D+01 -0.129749D+01  0.504736D+01  0.160313D+00  0.156798D+01
      2  -0.361024D+01 -0.200057D+01  0.160313D+00  0.135259D+01 -0.283064D+00
      3  -0.200057D+01  0.536231D+00  0.156798D+01 -0.283064D+00  0.142777D+01
               121           122           123           124           125 
      1  -0.784090D+00  0.866941D+00 -0.537076D+00  0.265319D+01 -0.478676D+00
      2   0.866941D+00 -0.849331D+00  0.408142D+00 -0.478676D+00  0.917724D+00
      3  -0.537076D+00  0.408142D+00 -0.427326D+00  0.201407D+01 -0.339051D-01
               126           127           128           129           130 
      1   0.201407D+01  0.431867D+01  0.275225D+01 -0.150280D+01  0.274235D+01
      2  -0.339051D-01  0.275225D+01  0.248620D+01 -0.135080D+01  0.300637D+01
      3   0.216940D+01 -0.150280D+01 -0.135080D+01  0.141225D+01 -0.141152D+01
               131           132           133           134           135 
      1   0.300637D+01 -0.141152D+01 -0.246376D+01 -0.253274D+01  0.243847D+01
      2   0.530921D+01 -0.195888D+01 -0.253274D+01 -0.286424D+01  0.234725D+01
      3  -0.195888D+01  0.156555D+01  0.243847D+01  0.234725D+01 -0.277828D+01
               136           137           138           139           140 
      1  -0.255510D+01  0.112766D+01 -0.112706D+01  0.982360D+00 -0.106201D+01
      2   0.112766D+01 -0.214335D+01  0.879818D+00 -0.106201D+01  0.350869D+01
      3  -0.112706D+01  0.879818D+00 -0.115817D+01  0.561597D+00 -0.926773D+00
               141           142           143           144           145 
      1   0.561597D+00 -0.176046D+01  0.101074D+01 -0.107085D+01  0.145667D+01
      2  -0.926773D+00  0.101074D+01 -0.178256D+01  0.177111D+01  0.192348D+01
      3   0.995822D+00 -0.107085D+01  0.177111D+01 -0.229038D+01  0.530621D+00
               146           147           148           149           150 
      1   0.192348D+01  0.530621D+00  0.152532D+01  0.187389D+01  0.834493D+00
      2   0.218198D+01  0.888265D+00  0.187389D+01  0.867865D+01  0.272570D+01
      3   0.888265D+00  0.588368D+00  0.834493D+00  0.272570D+01  0.192004D+01
               151           152           153           154           155 
      1   0.497798D+00  0.141163D+01  0.748419D+00 -0.254040D+01 -0.112912D+01
      2   0.141163D+01  0.479373D+01  0.316007D+01 -0.112912D+01 -0.214596D+01
      3   0.748419D+00  0.316007D+01  0.253301D+01  0.111738D+01  0.880192D+00
               156           157           158           159           160 
      1   0.111738D+01 -0.987761D+00 -0.106413D+01  0.562564D+00  0.174747D+01
      2   0.880192D+00 -0.106413D+01 -0.354209D+01  0.938614D+00  0.101221D+01
      3  -0.114970D+01  0.562564D+00  0.938614D+00 -0.100288D+01 -0.106031D+01
               161           162           163           164           165 
      1   0.101221D+01 -0.106031D+01  0.148063D+01 -0.193529D+01 -0.541292D+00
      2   0.179731D+01 -0.177685D+01 -0.193529D+01  0.220380D+01  0.901814D+00
      3  -0.177685D+01  0.228338D+01 -0.541292D+00  0.901814D+00  0.601679D+00
               166           167           168           169           170 
      1  -0.153341D+01  0.188853D+01  0.845518D+00 -0.513489D+00  0.143184D+01
      2   0.188853D+01 -0.862287D+01 -0.271979D+01  0.143184D+01 -0.478821D+01
      3   0.845518D+00 -0.271979D+01 -0.192073D+01  0.766543D+00 -0.316406D+01
               171           172           173           174           175 
      1   0.766543D+00  0.504760D+01 -0.142978D+00 -0.156230D+01  0.800577D+00
      2  -0.316406D+01 -0.142978D+00  0.135248D+01 -0.290958D+00  0.871410D+00
      3  -0.254828D+01 -0.156230D+01 -0.290958D+00  0.142273D+01 -0.544018D+00
               176           177           178           179           180 
      1   0.871410D+00 -0.544018D+00 -0.264212D+01 -0.491647D+00  0.200937D+01
      2   0.870166D+00 -0.412520D+00 -0.491647D+00 -0.922038D+00  0.460932D-01
      3  -0.412520D+00  0.434605D+00  0.200937D+01  0.460932D-01 -0.216389D+01
               181           182           183           184           185 
      1   0.435384D+01 -0.275970D+01  0.151218D+01 -0.274995D+01  0.300922D+01
      2  -0.275970D+01  0.249119D+01 -0.135318D+01  0.300922D+01 -0.528424D+01
      3   0.151218D+01 -0.135318D+01  0.141600D+01 -0.141202D+01  0.194588D+01
               186           187           188           189           190 
      1  -0.141202D+01  0.247656D+01 -0.253156D+01  0.244179D+01  0.425366D+01
      2   0.194588D+01 -0.253156D+01  0.284185D+01 -0.233545D+01  0.104904D+01
      3  -0.155837D+01  0.244179D+01 -0.233545D+01  0.277212D+01  0.170736D+01
               191           192           193           194           195 
      1   0.104904D+01  0.170736D+01  0.263488D+01  0.100203D+00  0.185095D+01
      2   0.167579D+01  0.843293D+00  0.100203D+00  0.211011D+01 -0.690607D-01
      3   0.843293D+00  0.145664D+01  0.185095D+01 -0.690607D-01  0.136048D+01
               196           197           198           199           200 
      1   0.927338D+00  0.109642D+01  0.878684D+00 -0.159569D+01  0.127838D+01
      2   0.109642D+01  0.701904D-01  0.645716D+00  0.127838D+01 -0.976022D+00
      3   0.878684D+00  0.645716D+00  0.167281D+01 -0.140040D+00  0.102680D+01
               201           202           203           204           205 
      1  -0.140040D+00  0.235687D-01 -0.632787D-01  0.404327D+00  0.111077D+01
      2   0.102680D+01 -0.632787D-01 -0.119386D+01  0.856276D+00 -0.138759D+00
      3  -0.162023D+01  0.404327D+00  0.856276D+00 -0.131426D+01  0.337608D-01
               206           207           208           209           210 
      1  -0.138759D+00  0.337608D-01 -0.356160D+01 -0.105004D+01 -0.157453D+01
      2   0.127416D+01 -0.127460D+01 -0.105004D+01 -0.356262D+01 -0.191486D+01
      3  -0.127460D+01  0.563323D+01 -0.157453D+01 -0.191486D+01 -0.183372D+01
               211           212           213           214           215 
      1  -0.164352D+01 -0.132463D+01 -0.958984D+00 -0.128331D+01 -0.899841D+00
      2  -0.132463D+01 -0.112593D+01 -0.127374D+00 -0.899841D+00  0.210030D+00
      3  -0.958984D+00 -0.127374D+00 -0.683031D+00 -0.960124D+00 -0.530259D+00
               216           217           218           219           220 
      1  -0.960124D+00  0.880140D+00 -0.660653D+00 -0.125569D+01 -0.474878D+00
      2  -0.530259D+00 -0.660653D+00  0.152360D+01  0.408168D+00 -0.912924D-01
      3  -0.174793D+01 -0.125569D+01  0.408168D+00  0.195969D+01 -0.234580D+00
               221           222           223           224           225 
      1  -0.912924D-01 -0.234580D+00 -0.113172D+01  0.162705D+00  0.111966D+01
      2   0.207815D+01  0.430540D+00  0.162705D+00 -0.132224D+01 -0.724170D+00
      3   0.430540D+00  0.631141D+00  0.111966D+01 -0.724170D+00 -0.550105D+01
               226           227           228           229           230 
      1   0.588810D+00  0.361781D+00  0.910933D+00  0.236038D+01 -0.109897D+01
      2   0.361781D+00 -0.998935D+00 -0.160682D+00 -0.109897D+01  0.576000D+01
      3   0.910933D+00 -0.160682D+00  0.223190D+00  0.787778D+00 -0.870574D+00
               231           232           233           234           235 
      1   0.787778D+00  0.185602D+01 -0.419589D+00  0.606853D+00  0.101852D+01
      2  -0.870574D+00 -0.419589D+00  0.779638D-01  0.445205D+00 -0.819195D+00
      3   0.120593D+01  0.606853D+00  0.445205D+00 -0.226414D+00  0.156448D+00
               236           237           238           239           240 
      1  -0.819195D+00  0.156448D+00 -0.132706D+01  0.121782D+00 -0.464285D+00
      2  -0.770916D-01 -0.400663D+00  0.121782D+00  0.694847D+00 -0.536910D+00
      3  -0.400663D+00  0.734438D+00 -0.464285D+00 -0.536910D+00 -0.377787D+00
               241           242           243           244           245 
      1  -0.176103D+01  0.193358D+00 -0.836373D+00 -0.357427D+01  0.105578D+01
      2   0.193358D+00 -0.999944D+00  0.106535D+01  0.105578D+01 -0.356247D+01
      3  -0.836373D+00  0.106535D+01 -0.702293D+01  0.158673D+01 -0.191139D+01
               246           247           248           249           250 
      1   0.158673D+01  0.164102D+01 -0.131825D+01 -0.954235D+00  0.129053D+01
      2  -0.191139D+01 -0.131825D+01  0.110164D+01  0.117562D+00 -0.894994D+00
      3  -0.183843D+01 -0.954235D+00  0.117562D+00  0.678478D+00 -0.963447D+00
               251           252           253           254           255 
      1  -0.894994D+00 -0.963447D+00  0.876263D+00  0.659802D+00  0.125905D+01
      2  -0.211893D+00  0.531273D+00  0.659802D+00  0.153873D+01  0.417263D+00
      3   0.531273D+00  0.175277D+01  0.125905D+01  0.417263D+00  0.196697D+01
               256           257           258           259           260 
      1   0.479327D+00 -0.795544D-01 -0.228302D+00  0.113184D+01  0.164333D+00
      2  -0.795544D-01 -0.207331D+01 -0.429851D+00  0.164333D+00  0.132725D+01
      3  -0.228302D+00 -0.429851D+00 -0.618767D+00  0.112120D+01  0.735319D+00
               261           262           263           264           265 
      1   0.112120D+01  0.427920D+01 -0.104624D+01 -0.171024D+01 -0.262534D+01
      2   0.735319D+00 -0.104624D+01  0.168239D+01  0.834972D+00  0.975911D-01
      3   0.550115D+01 -0.171024D+01  0.834972D+00  0.145472D+01  0.184170D+01
               266           267           268           269           270 
      1   0.975911D-01  0.184170D+01 -0.922861D+00  0.109428D+01  0.871331D+00
      2  -0.210845D+01  0.838812D-01  0.109428D+01 -0.550512D-01 -0.640934D+00
      3   0.838812D-01 -0.134962D+01  0.871331D+00 -0.640934D+00 -0.165792D+01
               271           272           273           274           275 
      1  -0.158297D+01 -0.128173D+01  0.136813D+00 -0.320145D-01 -0.682899D-01
      2  -0.128173D+01 -0.981778D+00  0.102460D+01 -0.682899D-01  0.118376D+01
      3   0.136813D+00  0.102460D+01 -0.161786D+01  0.404309D+00 -0.847188D+00
               276           277           278           279           280 
      1   0.404309D+00 -0.111385D+01 -0.143956D+00  0.383538D-01 -0.106799D+01
      2  -0.847188D+00 -0.143956D+00 -0.127579D+01  0.126891D+01 -0.812388D+00
      3   0.129951D+01  0.383538D-01  0.126891D+01 -0.564692D+01 -0.102631D+01
               281           282           283           284           285 
      1  -0.812388D+00 -0.102631D+01 -0.157180D+01 -0.128082D+01 -0.536871D+00
      2  -0.428476D+00 -0.202856D+00 -0.128082D+01 -0.429398D+01 -0.210374D+01
      3  -0.202856D+00 -0.437403D+00 -0.536871D+00 -0.210374D+01 -0.225425D+01
               286           287           288           289           290 
      1  -0.159793D+01 -0.396771D+00 -0.906139D+00 -0.905498D+01  0.231325D+01
      2  -0.396771D+00 -0.155513D+01 -0.154769D+01  0.231325D+01 -0.163060D+01
      3  -0.906139D+00 -0.154769D+01 -0.220653D+01 -0.247268D+01  0.643894D+00
               291           292           293           294           295 
      1  -0.247268D+01  0.429672D+01 -0.247702D+01  0.139794D+01 -0.276068D+01
      2   0.643894D+00 -0.247702D+01  0.140794D+01 -0.126747D+01  0.802171D+00
      3  -0.185444D+01  0.139794D+01 -0.126747D+01  0.899525D+00 -0.239346D+01
               296           297           298           299           300 
      1   0.802171D+00 -0.239346D+01 -0.902106D+01 -0.233437D+01  0.245468D+01
      2  -0.786626D+00  0.638616D+00 -0.233437D+01 -0.164514D+01  0.644738D+00
      3   0.638616D+00 -0.148992D+01  0.245468D+01  0.644738D+00 -0.184338D+01
               301           302           303           304           305 
      1  -0.432031D+01 -0.250194D+01  0.139760D+01  0.273946D+01  0.804559D+00
      2  -0.250194D+01 -0.143791D+01  0.127225D+01  0.804559D+00  0.790133D+00
      3   0.139760D+01  0.127225D+01 -0.904950D+00 -0.238151D+01 -0.645725D+00
               306           307           308           309           310 
      1  -0.238151D+01 -0.108068D+01  0.819200D+00  0.102895D+01  0.158413D+01
      2  -0.645725D+00  0.819200D+00 -0.445935D+00 -0.212844D+00 -0.129711D+01
      3   0.147791D+01  0.102895D+01 -0.212844D+00 -0.449713D+00 -0.545882D+00
               311           312           313           314           315 
      1  -0.129711D+01 -0.545882D+00  0.160164D+01 -0.402415D+00 -0.913387D+00
      2   0.428223D+01  0.209883D+01 -0.402415D+00  0.155113D+01  0.154337D+01
      3   0.209883D+01  0.225190D+01 -0.913387D+00  0.154337D+01  0.220283D+01
               316           317           318           319           320 
      1   0.100592D+01  0.823994D+00 -0.153390D+00  0.133794D+01  0.132404D+00
      2   0.823994D+00 -0.700498D-01 -0.400251D+00  0.132404D+00 -0.689211D+00
      3  -0.153390D+00 -0.400251D+00  0.726722D+00 -0.468786D+00  0.531930D+00
               321           322           323           324           325 
      1  -0.468786D+00  0.176056D+01  0.197464D+00 -0.839749D+00  0.601557D+00
      2   0.531930D+00  0.197464D+00  0.998669D+00 -0.105804D+01 -0.351900D+00
      3   0.392943D+00 -0.839749D+00 -0.105804D+01  0.702696D+01 -0.911290D+00
               326           327           328           329           330 
      1  -0.351900D+00 -0.911290D+00 -0.235515D+01 -0.108849D+01  0.784381D+00
      2  -0.974788D+00 -0.165071D+00 -0.108849D+01 -0.577213D+01  0.882394D+00
      3  -0.165071D+00  0.226074D+00  0.784381D+00  0.882394D+00 -0.120848D+01
               331           332           333 
      1  -0.184746D+01 -0.422456D+00  0.603670D+00
      2  -0.422456D+00 -0.720219D-01 -0.444302D+00
      3   0.603670D+00 -0.444302D+00  0.233760D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.237563D+01 -0.472771D+00  0.145989D+00  0.669420D+00 -0.226386D+01
      2  -0.566319D+01 -0.672507D+01  0.684437D+01 -0.839588D+01 -0.790315D+01
      3  -0.108660D+02 -0.139136D+01  0.272087D+01  0.554878D+00  0.112414D+02
                 6             7             8             9            10 
      1  -0.409139D+01  0.598822D+00 -0.289292D+00 -0.935619D+00  0.236479D+01
      2  -0.665875D+01  0.310305D+01 -0.191887D+01  0.222323D+01  0.573212D+01
      3   0.842480D+01  0.414628D+01  0.884250D+01  0.441298D+01  0.108785D+02
                11            12            13            14            15 
      1   0.530618D+00 -0.156174D+00 -0.597572D+00 -0.226939D+01 -0.410915D+01
      2  -0.675942D+01  0.683443D+01 -0.844446D+01  0.782518D+01  0.665137D+01
      3  -0.124625D+01  0.278781D+01  0.725357D+00 -0.112166D+02 -0.842071D+01
                16            17            18            19            20 
      1  -0.605199D+00 -0.291947D+00 -0.918232D+00 -0.209154D+01  0.757474D+01
      2   0.310010D+01  0.191142D+01 -0.221645D+01 -0.236649D+02 -0.359060D+01
      3   0.422317D+01 -0.883440D+01 -0.440512D+01 -0.179437D+02  0.212927D+01
                21            22            23            24            25 
      1   0.371916D+01  0.208084D+02  0.171688D+02 -0.111545D+02  0.144132D+02
      2  -0.374328D+00 -0.191928D+01 -0.318054D+01 -0.112965D+01 -0.266859D+02
      3   0.462424D+01  0.281896D+02  0.188287D+02 -0.112903D+02  0.489698D+01
                26            27            28            29            30 
      1   0.759958D+01 -0.161094D+02 -0.226907D+01  0.127897D-01  0.259612D-01
      2  -0.101059D+02  0.243002D+02  0.103253D-01  0.114304D+01 -0.831107D+01
      3  -0.248099D+01 -0.141003D+01 -0.207651D-01  0.138770D+02  0.127924D+01
                31            32            33            34            35 
      1  -0.316256D-01 -0.453086D-01  0.989137D+01  0.688418D-02 -0.179583D+02
      2  -0.241755D+00 -0.220073D-01 -0.196140D-01  0.198561D+02  0.199713D-01
      3  -0.163770D+02  0.425980D-01  0.439803D-01  0.444581D+00  0.953199D-02
                36            37            38            39            40 
      1   0.512669D+00 -0.499417D+01  0.985309D+01  0.635732D+01  0.166969D+02
      2  -0.104720D-01 -0.243238D+02 -0.996654D+01  0.840246D+01  0.326647D+00
      3  -0.748173D-02 -0.230922D+02 -0.157020D+01  0.116521D+02  0.231845D+02
                41            42            43            44            45 
      1   0.146801D+02 -0.659266D+01  0.133801D+02  0.915839D+01 -0.816446D+01
      2  -0.922027D-01 -0.102787D+02 -0.218634D+02 -0.202572D+02  0.212178D+02
      3   0.203476D+02 -0.114403D+02  0.404688D+01 -0.678133D+01  0.417544D+01
                46            47            48            49            50 
      1   0.633487D+01 -0.533629D+01  0.285200D+01 -0.481036D+01 -0.897175D+01
      2  -0.465040D+01  0.586395D+01 -0.198426D+01  0.460565D+01  0.622534D+01
      3  -0.410507D+01  0.563808D-01 -0.992565D+01  0.524568D+01 -0.275097D+01
                51            52            53            54            55 
      1  -0.613023D+01  0.666028D+00 -0.349735D+01  0.204846D+01 -0.123576D+01
      2   0.285542D+01 -0.367383D+01  0.423195D+01 -0.164373D+01 -0.751718D+00
      3  -0.271924D+01 -0.142131D+02 -0.139178D+01 -0.498029D+01  0.578599D+01
                56            57            58            59            60 
      1   0.994978D+01 -0.650913D+01  0.111004D+02  0.350197D+01 -0.552080D+00
      2  -0.446178D+01  0.419475D+01 -0.382468D+01 -0.375748D+00  0.691498D+00
      3  -0.400491D+01  0.323874D+01  0.867300D+00  0.489172D+00 -0.964779D+01
                61            62            63            64            65 
      1  -0.649622D+01 -0.403992D+00 -0.237791D+01  0.452206D-01  0.183285D+01
      2   0.227222D+00  0.149810D+01  0.932673D+00 -0.237119D+01  0.222184D+02
      3   0.606503D+01 -0.127921D+02  0.533920D+01 -0.334915D+00 -0.376024D+02
                66            67            68            69            70 
      1   0.671516D+01 -0.208003D+01 -0.239621D+02  0.145179D+01  0.780983D+01
      2   0.135907D+02  0.107205D+02 -0.105333D+01 -0.262615D+01  0.167036D+01
      3  -0.157925D+02 -0.111546D+02  0.372785D+01  0.455347D+01 -0.761306D+01
                71            72            73            74            75 
      1   0.339266D+02  0.217325D+02 -0.206774D+01 -0.761174D+01 -0.365613D+01
      2   0.962378D-01  0.320939D+01  0.237248D+02 -0.354516D+01 -0.311658D+00
      3   0.642665D+00 -0.416072D+01  0.178669D+02  0.220382D+01  0.459272D+01
                76            77            78            79            80 
      1  -0.208365D+02  0.170585D+02 -0.111412D+02 -0.143527D+02  0.756316D+01
      2  -0.193260D+01  0.322531D+01  0.112494D+01 -0.266804D+02  0.100833D+02
      3   0.282183D+02 -0.187095D+02  0.112682D+02  0.490118D+01  0.247774D+01
                81            82            83            84            85 
      1  -0.160209D+02 -0.498699D+01 -0.988762D+01 -0.640821D+01 -0.167602D+02
      2  -0.243540D+02  0.242554D+02 -0.996667D+01  0.835098D+01  0.370902D+00
      3   0.137022D+01  0.229611D+02 -0.147797D+01  0.116545D+02  0.233066D+02
                86            87            88            89            90 
      1   0.146102D+02 -0.663627D+01 -0.133519D+02  0.902914D+01 -0.810692D+01
      2   0.723521D-01  0.103365D+02 -0.219265D+02  0.202170D+02 -0.211950D+02
      3  -0.202946D+02  0.115001D+02  0.403269D+01  0.683469D+01 -0.417056D+01
                91            92            93            94            95 
      1   0.627685D+01  0.538762D+01 -0.278375D+01  0.484944D+01 -0.886707D+01
      2   0.464359D+01  0.593288D+01 -0.194617D+01  0.464309D+01 -0.617746D+01
      3   0.412190D+01  0.112931D+00 -0.994473D+01  0.527914D+01  0.276270D+01
                96            97            98            99           100 
      1  -0.615473D+01 -0.601292D+00 -0.352633D+01  0.203091D+01 -0.115067D+01
      2  -0.291059D+01 -0.362366D+01 -0.430308D+01  0.165029D+01  0.783752D+00
      3   0.265221D+01 -0.142037D+02  0.128778D+01  0.498359D+01 -0.577320D+01
               101           102           103           104           105 
      1  -0.999315D+01  0.644946D+01 -0.111296D+02  0.344576D+01 -0.484565D+00
      2  -0.450647D+01  0.420737D+01 -0.386890D+01  0.353233D+00 -0.680062D+00
      3  -0.406818D+01  0.320208D+01  0.827389D+00 -0.565644D+00  0.967912D+01
               106           107           108           109           110 
      1   0.644044D+01 -0.315240D+00 -0.234662D+01  0.282685D-01 -0.184967D+01
      2   0.236842D+00 -0.149112D+01 -0.932763D+00  0.225830D+01  0.222021D+02
      3   0.599500D+01  0.128429D+02 -0.529372D+01  0.500485D+00 -0.375645D+02
               111           112           113           114           115 
      1  -0.678184D+01  0.212683D+01 -0.239379D+02  0.138634D+01 -0.792404D+01
      2   0.135456D+02  0.107274D+02  0.112208D+01  0.269179D+01  0.163103D+01
      3  -0.157648D+02 -0.111216D+02 -0.393520D+01 -0.462110D+01 -0.758536D+01
               116           117           118           119           120 
      1   0.339180D+02  0.217668D+02 -0.437873D+01  0.122756D+01 -0.319584D+01
      2   0.140834D-01 -0.314784D+01  0.534452D+01 -0.112937D+01  0.540852D+01
      3  -0.669330D+00  0.415321D+01  0.120137D+02 -0.485116D+01  0.512891D+01
               121           122           123           124           125 
      1   0.164219D+01 -0.102612D+01  0.687382D+00 -0.460015D+01  0.223261D+01
      2  -0.183979D+01  0.148381D+01 -0.228216D+01  0.467760D+01 -0.675747D+00
      3  -0.392746D+01  0.682884D+01 -0.300968D+01  0.827449D+01 -0.510996D+01
               126           127           128           129           130 
      1  -0.615654D+01  0.183832D+01  0.110367D+01 -0.366705D+01  0.242241D+01
      2   0.720065D+01 -0.760948D+00 -0.119627D+01  0.358057D+01 -0.211352D+01
      3   0.526056D+01  0.470975D+01 -0.320975D+00 -0.964973D+00  0.122933D+01
               131           132           133           134           135 
      1   0.150443D+01 -0.427573D+01 -0.226941D+01 -0.279034D+00  0.563248D+01
      2  -0.261380D+01  0.360460D+01  0.126621D+01  0.227136D+01 -0.516572D+01
      3  -0.512039D+01  0.661421D+00  0.809865D+00  0.357996D+01  0.239214D+00
               136           137           138           139           140 
      1   0.487720D+01 -0.348252D+01  0.520976D+01 -0.245454D+01  0.342720D+01
      2  -0.101204D+01  0.764571D+00  0.364184D+00  0.618862D+00 -0.507287D+00
      3  -0.123849D+02  0.393148D+01 -0.544166D+01  0.449848D+01 -0.638464D+01
               141           142           143           144           145 
      1  -0.402547D+01  0.450061D+01 -0.469502D+01  0.938989D+01 -0.464990D+00
      2   0.259795D+00 -0.222666D+01  0.598474D+00 -0.165267D+01 -0.268367D+00
      3   0.276158D+01 -0.833472D+01  0.462503D+01 -0.521136D+01  0.297733D+01
               146           147           148           149           150 
      1  -0.256649D+01 -0.201383D+01 -0.106171D+01 -0.434858D+01 -0.689809D+01
      2   0.390134D+00  0.103907D+01 -0.439265D+00  0.151005D+01  0.204926D+01
      3   0.278534D+01  0.672405D+00  0.486692D+01 -0.237804D+01 -0.404604D+00
               151           152           153           154           155 
      1  -0.693144D+00 -0.273121D+01 -0.697887D+01  0.484213D+01  0.349383D+01
      2  -0.132742D+01  0.706196D+00  0.213601D+01  0.101432D+01  0.773725D+00
      3   0.250707D+01  0.248364D+01 -0.296541D+00  0.123533D+02  0.397723D+01
               156           157           158           159           160 
      1  -0.518575D+01  0.245660D+01  0.347727D+01 -0.406193D+01 -0.446345D+01
      2   0.352132D+00  0.628104D+00  0.525049D+00 -0.273207D+00 -0.222565D+01
      3  -0.541585D+01  0.453630D+01  0.645861D+01 -0.278001D+01 -0.830391D+01
               161           162           163           164           165 
      1  -0.473238D+01  0.937297D+01 -0.484693D+00  0.257645D+01  0.205059D+01
      2  -0.627874D+00  0.167848D+01  0.271801D+00  0.406101D+00  0.106013D+01
      3  -0.466917D+01  0.520066D+01 -0.301867D+01  0.276654D+01  0.675463D+00
               166           167           168           169           170 
      1   0.109059D+01 -0.434041D+01 -0.687622D+01  0.727086D+00 -0.273951D+01
      2  -0.426918D+00 -0.152861D+01 -0.207029D+01 -0.132229D+01 -0.721977D+00
      3   0.483770D+01  0.240161D+01  0.397628D+00  0.252733D+01 -0.247923D+01
               171           172           173           174           175 
      1  -0.701391D+01 -0.434181D+01 -0.124323D+01  0.316273D+01 -0.165121D+01
      2  -0.217657D+01 -0.534809D+01 -0.116144D+01  0.539879D+01 -0.186686D+01
      3   0.280613D+00 -0.120045D+02 -0.490806D+01  0.512514D+01 -0.397602D+01
               176           177           178           179           180 
      1  -0.104687D+01  0.699912D+00  0.456168D+01  0.226290D+01 -0.611559D+01
      2  -0.150874D+01  0.231445D+01  0.468306D+01  0.715293D+00 -0.720802D+01
      3  -0.690839D+01  0.304039D+01  0.825602D+01  0.515941D+01 -0.526420D+01
               181           182           183           184           185 
      1   0.184546D+01 -0.109876D+01  0.366630D+01 -0.240652D+01  0.147021D+01
      2   0.774083D+00 -0.120435D+01  0.360344D+01 -0.212190D+01  0.259571D+01
      3  -0.472563D+01 -0.358053D+00 -0.961347D+00  0.118659D+01  0.512695D+01
               186           187           188           189           190 
      1  -0.424793D+01  0.225659D+01 -0.259465D+00  0.560240D+01  0.456526D+01
      2  -0.360499D+01  0.126867D+01 -0.225257D+01  0.517200D+01 -0.277847D+01
      3  -0.661664D+00  0.816066D+00 -0.356052D+01 -0.240938D+00 -0.717511D+01
               191           192           193           194           195 
      1   0.359781D+01  0.332820D+01  0.501505D+01  0.484294D+01  0.238301D+01
      2  -0.116654D+01  0.780988D+00 -0.523668D+01  0.819486D+00 -0.651905D+00
      3  -0.562287D+01 -0.364184D+01 -0.776818D+01 -0.554262D+01 -0.438812D+01
               196           197           198           199           200 
      1   0.172465D+01  0.250820D+01  0.236982D+01  0.104638D+01 -0.151313D+01
      2   0.524783D+00  0.100866D+01  0.633690D+00 -0.259726D+01  0.383386D+01
      3  -0.128378D+01 -0.893041D+00 -0.289121D+01 -0.278492D+01  0.278233D+01
               201           202           203           204           205 
      1  -0.893215D+00  0.187959D+00 -0.132030D+00 -0.991389D+00 -0.113912D+00
      2  -0.674030D+01  0.200800D+01  0.137877D+01 -0.264889D+01 -0.153628D+01
      3  -0.329698D+01  0.202631D+01  0.868019D+00 -0.145343D+01 -0.331460D-01
               206           207           208           209           210 
      1   0.143370D+01  0.415583D+01 -0.246398D+01  0.283937D+01 -0.203402D+01
      2  -0.277926D+01  0.115107D+02 -0.810145D+01 -0.481573D+01 -0.356885D+01
      3  -0.231830D+01  0.241689D+01  0.118407D+02  0.513179D+01  0.623064D+01
               211           212           213           214           215 
      1   0.153632D+00 -0.115367D+01 -0.174550D+01 -0.258951D+01 -0.584355D-01
      2  -0.175126D+01 -0.357358D+00 -0.945453D+00 -0.242834D+01 -0.206424D+00
      3   0.308943D+01  0.969389D+00  0.982489D+00  0.196240D+01  0.745813D+00
               216           217           218           219           220 
      1  -0.180169D+01 -0.239707D+01  0.530110D+00  0.554851D+01 -0.466394D+00
      2  -0.179554D+01  0.180493D+01 -0.145405D+01 -0.157198D+01  0.836233D+00
      3   0.293976D+01 -0.224099D+01  0.846322D+00  0.301238D+01 -0.478404D-02
               221           222           223           224           225 
      1   0.284623D+01  0.367749D+01  0.215496D+01  0.263650D+00 -0.117146D+02
      2  -0.293848D+01 -0.173818D+01 -0.255280D+01  0.799075D+00  0.178310D+01
      3   0.404405D+01  0.207094D+01  0.219746D+01 -0.121199D+01 -0.255345D+01
               226           227           228           229           230 
      1   0.149921D+01 -0.139824D+01  0.125347D+01  0.288847D+01 -0.102413D+02
      2   0.198519D+01  0.263467D+00  0.179228D+01  0.302956D+01  0.343050D+00
      3   0.109652D-01  0.914874D+00 -0.820413D+00  0.360679D+00  0.125073D+02
               231           232           233           234           235 
      1   0.400159D+00  0.300754D+01 -0.277463D+01  0.408140D+00 -0.277394D+01
      2  -0.881552D+00  0.155704D+01 -0.192704D+01  0.684168D+00 -0.219531D+00
      3  -0.197661D+01 -0.829371D+00  0.277597D+01 -0.350295D-02  0.193441D+01
               236           237           238           239           240 
      1   0.104316D+01 -0.255938D+01  0.113088D+01  0.317414D+00  0.189877D+01
      2   0.187006D+01 -0.331721D+01  0.706451D+00  0.119006D+01  0.144469D+01
      3  -0.930983D+00 -0.813018D-01  0.322506D+00  0.841336D-01 -0.166145D+01
               241           242           243           244           245 
      1   0.159120D+01  0.619652D+00  0.688259D+01 -0.248081D+01 -0.281245D+01
      2  -0.114487D+01 -0.266177D+01  0.142711D+02  0.811290D+01 -0.480339D+01
      3  -0.203571D+01 -0.138517D+01  0.143878D+01 -0.118688D+02  0.509764D+01
               246           247           248           249           250 
      1   0.206773D+01 -0.147368D+00 -0.116795D+01 -0.174344D+01  0.260127D+01
      2  -0.356356D+01 -0.172544D+01  0.321179D+00  0.926796D+00 -0.242251D+01
      3   0.623459D+01  0.305509D+01 -0.937108D+00 -0.962663D+00  0.197066D+01
               251           252           253           254           255 
      1  -0.480979D-01 -0.181361D+01 -0.239810D+01 -0.550432D+00 -0.556899D+01
      2   0.207082D+00  0.179247D+01 -0.181416D+01 -0.147465D+01 -0.159933D+01
      3  -0.753498D+00 -0.294986D+01  0.224497D+01  0.872934D+00  0.302836D+01
               256           257           258           259           260 
      1   0.442548D+00  0.281237D+01  0.363296D+01 -0.215797D+01  0.240287D+00
      2   0.820286D+00  0.294762D+01  0.174101D+01 -0.256387D+01 -0.813966D+00
      3   0.126559D-01 -0.403823D+01 -0.205973D+01  0.220188D+01  0.122933D+01
               261           262           263           264           265 
      1  -0.117062D+02  0.458528D+01 -0.360034D+01 -0.331762D+01 -0.498656D+01
      2  -0.182769D+01  0.282784D+01 -0.117728D+01  0.771685D+00 -0.526040D+01
      3   0.256731D+01  0.724015D+01 -0.564558D+01 -0.364286D+01 -0.777534D+01
               266           267           268           269           270 
      1   0.483587D+01  0.234323D+01 -0.170933D+01  0.249085D+01  0.233867D+01
      2  -0.802082D+00  0.661555D+00  0.543272D+00 -0.995742D+00 -0.623649D+00
      3   0.554576D+01  0.434754D+01 -0.125670D+01  0.872933D+00  0.286523D+01
               271           272           273           274           275 
      1   0.101460D+01  0.148695D+01  0.920023D+00 -0.196937D+00 -0.120925D+00
      2   0.260323D+01  0.384490D+01 -0.673613D+01  0.202366D+01 -0.134453D+01
      3   0.277246D+01  0.277889D+01 -0.328231D+01  0.203514D+01 -0.837255D+00
               276           277           278           279           280 
      1  -0.988861D+00  0.112692D+00  0.143578D+01  0.421051D+01  0.850156D+00
      2   0.259926D+01 -0.151914D+01  0.276984D+01 -0.115374D+02  0.370410D+01
      3   0.143583D+01 -0.271245D-01  0.232067D+01 -0.240126D+01 -0.279060D+01
               281           282           283           284           285 
      1   0.543543D-01  0.188814D+00  0.133378D+01  0.535287D+01  0.570181D+00
      2  -0.656940D+00  0.255481D+00 -0.770116D+00  0.623379D+01  0.808951D+01
      3  -0.892094D+00 -0.394256D+00 -0.132826D+01 -0.164042D+02 -0.755956D+01
               286           287           288           289           290 
      1   0.458689D-01  0.289368D+01  0.114446D+01 -0.152994D+01  0.160036D+01
      2  -0.342311D+00  0.543741D+01  0.645252D+01 -0.299477D+00 -0.593616D+00
      3  -0.857034D+00 -0.586455D+01 -0.592232D+01  0.543895D+01 -0.665639D+01
               291           292           293           294           295 
      1  -0.186909D+00  0.162959D+01 -0.146517D+01 -0.152630D+00 -0.138034D+00
      2   0.605745D+01  0.356603D+01  0.127640D+01 -0.157790D+01  0.221522D+01
      3   0.241899D+01 -0.351731D+01  0.488981D+01 -0.339128D+01  0.527449D-01
               296           297           298           299           300 
      1   0.137258D+01  0.107982D+00 -0.151707D+01 -0.159212D+01  0.157549D+00
      2  -0.141753D+01  0.266248D+01  0.280752D+00 -0.588607D+00  0.604893D+01
      3  -0.306396D+01  0.109192D+01 -0.541575D+01 -0.666448D+01  0.239705D+01
               301           302           303           304           305 
      1  -0.165131D+01 -0.147419D+01 -0.163472D+00  0.127319D+00  0.136226D+01
      2   0.357868D+01 -0.126542D+01  0.161080D+01  0.220782D+01  0.143011D+01
      3  -0.355081D+01 -0.495566D+01  0.340069D+01  0.376513D-01  0.305940D+01
               306           307           308           309           310 
      1   0.116191D+00  0.874539D+00 -0.731759D-01 -0.195822D+00 -0.135147D+01
      2  -0.263670D+01 -0.371808D+01 -0.633172D+00  0.307487D+00 -0.750947D+00
      3  -0.109157D+01  0.282183D+01 -0.964764D+00 -0.446457D+00 -0.141334D+01
               311           312           313           314           315 
      1   0.535449D+01  0.587024D+00 -0.661365D-01  0.290587D+01  0.116016D+01
      2  -0.621150D+01 -0.808713D+01 -0.308108D+00 -0.541989D+01 -0.644528D+01
      3   0.164026D+02  0.755449D+01 -0.902239D+00  0.586097D+01  0.592111D+01
               316           317           318           319           320 
      1  -0.276686D+01 -0.105807D+01  0.255860D+01 -0.115477D+01  0.320500D+00
      2   0.206851D+00  0.185631D+01 -0.328870D+01  0.703727D+00 -0.117748D+01
      3  -0.194678D+01 -0.946187D+00 -0.692945D-01  0.299382D+00 -0.777256D-01
               321           322           323           324           325 
      1   0.193134D+01 -0.159849D+01  0.606891D+00  0.694484D+01  0.152976D+01
      2  -0.148080D+01 -0.114746D+01  0.263948D+01 -0.142534D+02 -0.199657D+01
      3   0.166701D+01 -0.204672D+01  0.136792D+01 -0.140788D+01  0.197887D-01
               326           327           328           329           330 
      1   0.144510D+01 -0.126366D+01 -0.286955D+01 -0.102436D+02  0.414142D+00
      2   0.264707D+00  0.178413D+01  0.301683D+01 -0.388785D+00  0.892692D+00
      3   0.971638D+00 -0.844336D+00  0.381024D+00 -0.125109D+02  0.200551D+01
               331           332           333 
      1  -0.299664D+01 -0.277257D+01  0.408088D+00
      2   0.153139D+01  0.192165D+01 -0.687304D+00
      3  -0.839702D+00 -0.275949D+01  0.531448D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.199599D+02  0.244083D+02 -0.199657D+02  0.301993D+02 -0.309959D+01
      2   0.124595D+02 -0.138800D+02  0.991088D+01 -0.177282D+02  0.299998D+01
      3   0.750037D+01 -0.105283D+02  0.100548D+02 -0.124711D+02  0.996114D-01
      4   0.226352D+02 -0.721170D+01  0.427155D+01 -0.944313D+01 -0.119746D+02
      5  -0.200811D+02  0.552577D+01 -0.791076D+01  0.997917D+01 -0.188680D+02
      6   0.688401D+01 -0.102078D+01 -0.400309D+00 -0.488250D+01 -0.520847D+01
                 6             7             8             9            10 
      1   0.756704D+01 -0.166201D+02  0.533145D+01 -0.378951D+01 -0.195601D+02
      2  -0.466190D+01  0.810231D+01 -0.337151D+01  0.303694D+00  0.121217D+02
      3  -0.290514D+01  0.851779D+01 -0.195994D+01  0.348581D+01  0.743842D+01
      4  -0.164507D+02  0.480483D+01 -0.134358D+02 -0.391778D+01 -0.227131D+02
      5  -0.568373D+01 -0.791296D+01 -0.386320D+01  0.499349D+01  0.199232D+02
      6  -0.667487D+01  0.706019D+00 -0.567201D+01 -0.161653D+01  0.690254D+01
                11            12            13            14            15 
      1  -0.244217D+02  0.198819D+02 -0.302306D+02 -0.352184D+01  0.742638D+01
      2   0.138403D+02 -0.982478D+01  0.177000D+02  0.325271D+01 -0.454139D+01
      3   0.105814D+02 -0.100571D+02  0.125306D+02  0.269128D+00 -0.288499D+01
      4  -0.756122D+01  0.424411D+01 -0.985315D+01  0.118884D+02  0.165206D+02
      5   0.542775D+01 -0.784023D+01  0.986939D+01  0.189558D+02  0.570157D+01
      6   0.109629D+01  0.433921D+00  0.498026D+01 -0.509974D+01 -0.662592D+01
                16            17            18            19            20 
      1   0.165118D+02  0.519814D+01 -0.371988D+01  0.140810D+02  0.131199D+02
      2  -0.800599D+01 -0.325567D+01  0.287862D+00 -0.152320D+02 -0.944783D+01
      3  -0.850582D+01 -0.194247D+01  0.343202D+01  0.115095D+01 -0.367209D+01
      4   0.477003D+01  0.134925D+02  0.392499D+01  0.594129D+01  0.468282D+00
      5  -0.783907D+01  0.388380D+01 -0.502920D+01 -0.113436D+02 -0.334257D+01
      6  -0.677630D+00 -0.565280D+01 -0.162468D+01 -0.813578D+01  0.101703D+01
                21            22            23            24            25 
      1  -0.117254D+02  0.695129D+01  0.210879D+01  0.147569D+01 -0.576947D+01
      2   0.113057D+02 -0.511031D+01 -0.846578D+01  0.762886D+00  0.612018D+01
      3   0.419669D+00 -0.184098D+01  0.635699D+01 -0.223857D+01 -0.350714D+00
      4  -0.136933D+01  0.176278D+00 -0.116451D+02 -0.197105D+01 -0.153287D+01
      5   0.870489D+01 -0.235392D+01 -0.293894D+01  0.164293D+01  0.626302D+01
      6   0.181789D+01 -0.905650D-01  0.477006D+01  0.410827D+01  0.463078D+00
                26            27            28            29            30 
      1  -0.420389D+00  0.103920D+02 -0.127035D+02 -0.142154D-02  0.208439D-01
      2  -0.176629D+00  0.408158D+01  0.300161D+01 -0.312578D-02 -0.246809D-01
      3   0.597018D+00 -0.144736D+02  0.970191D+01  0.454732D-02  0.383705D-02
      4   0.822451D-04 -0.109695D+01  0.203418D-02 -0.737688D+01 -0.484277D+01
      5  -0.144776D+00  0.664802D+01  0.164437D-01 -0.287254D+01 -0.371701D+01
      6   0.377686D+01  0.218521D+01 -0.250056D+01 -0.859222D-02  0.716484D-02
                31            32            33            34            35 
      1  -0.249786D-02  0.319199D+01 -0.542043D+01  0.148206D-01 -0.775938D+01
      2   0.956058D-03 -0.118204D+02  0.653760D+01 -0.224744D-01  0.848094D+01
      3   0.154180D-02  0.862841D+01 -0.111717D+01  0.765382D-02 -0.721558D+00
      4  -0.834975D+01  0.736207D-02 -0.236856D-01 -0.775293D+01 -0.192937D-01
      5  -0.281421D+01 -0.593322D-02 -0.208448D-02  0.368357D+01 -0.330002D-02
      6  -0.830101D-02  0.350451D+01 -0.362876D+01  0.871779D-02  0.280903D+01
                36            37            38            39            40 
      1   0.471189D+00 -0.597825D+01  0.153543D+01  0.100312D+02  0.751600D+00
      2   0.844299D+00  0.970077D+01 -0.425820D+01 -0.715971D+01 -0.220712D+00
      3  -0.131549D+01 -0.372252D+01  0.272277D+01 -0.287154D+01 -0.530887D+00
      4  -0.352717D-02  0.107044D+02  0.602047D+01 -0.858599D+01  0.961025D+01
      5   0.109046D-01  0.234252D+01 -0.118693D+02  0.346741D+01 -0.111526D+02
      6  -0.777632D+00 -0.402616D+01 -0.542217D+01  0.665871D+01 -0.439032D+01
                41            42            43            44            45 
      1  -0.687195D+01 -0.525415D+01  0.918865D+01 -0.565190D+01  0.614190D+01
      2   0.478119D+01 -0.436570D+01 -0.477769D+01 -0.953653D+00  0.144256D+01
      3   0.209076D+01  0.961985D+01 -0.441096D+01  0.660556D+01 -0.758447D+01
      4   0.749844D+01 -0.971900D+01 -0.372344D+01 -0.693796D+01  0.275576D+01
      5  -0.493236D+01  0.367235D+01  0.273766D+01  0.123701D+01  0.692211D+00
      6  -0.346392D+01  0.185695D+01  0.457154D+01  0.360193D+00  0.604788D+01
                46            47            48            49            50 
      1  -0.807593D+01  0.136185D+01 -0.140783D+02  0.155975D+01 -0.612705D+00
      2   0.214589D+01 -0.209572D+01  0.178078D+02 -0.504643D+01  0.156945D+00
      3   0.593004D+01  0.733875D+00 -0.372950D+01  0.348669D+01  0.455759D+00
      4  -0.122442D+02 -0.881035D+01  0.784547D+01 -0.127616D+02 -0.931683D+01
      5  -0.369779D+01  0.134728D+02 -0.922950D+01  0.136346D+02  0.121665D+02
      6   0.936953D+00  0.152013D+02 -0.970728D+01  0.153674D+02  0.123329D+02
                51            52            53            54            55 
      1   0.650179D+01 -0.171863D+02  0.751922D+01 -0.910379D+01  0.264295D+01
      2   0.644421D+01  0.202884D+02  0.395269D+01  0.477505D+01 -0.259994D+01
      3  -0.129460D+02 -0.310213D+01 -0.114719D+02  0.432874D+01 -0.430091D-01
      4   0.201914D+02  0.116020D+02  0.241146D+02 -0.113238D+02  0.367653D+01
      5  -0.212707D+01 -0.139750D+02 -0.462572D+01  0.161347D+01  0.147200D+01
      6  -0.546683D+01 -0.124877D+02 -0.569475D+01  0.241613D+01  0.623722D+01
                56            57            58            59            60 
      1   0.416691D+01  0.114150D+02  0.248169D+01  0.157856D+02  0.313918D+01
      2  -0.601069D+01 -0.204519D+02 -0.116787D+01 -0.234812D+02 -0.136017D+02
      3   0.184378D+01  0.903693D+01 -0.131382D+01  0.769560D+01  0.104625D+02
      4  -0.687020D+01  0.143479D+01 -0.339515D+01 -0.102875D+02 -0.200405D+02
      5  -0.360798D+01 -0.113872D+01 -0.368633D+01 -0.873635D+01 -0.416235D+01
      6  -0.181278D+02  0.362937D+01 -0.175902D+02 -0.192630D+02 -0.120255D+02
                61            62            63            64            65 
      1   0.145070D+02  0.788152D+01  0.106680D+02  0.293161D+01 -0.480116D+01
      2  -0.225471D+02 -0.177156D+02 -0.144879D+02 -0.221144D+01  0.395337D+01
      3   0.804011D+01  0.983411D+01  0.381986D+01 -0.720164D+00  0.847795D+00
      4   0.243517D+01 -0.242462D+02  0.148095D+01  0.721625D+01  0.153400D+01
      5  -0.477950D+00 -0.364723D+01 -0.119146D+01  0.283090D+01 -0.300020D+01
      6   0.421752D+01 -0.180733D+02 -0.999628D+00 -0.673732D+01  0.801442D+01
                66            67            68            69            70 
      1  -0.105013D+01 -0.444428D+01 -0.108939D+02 -0.532554D+01 -0.236939D+01
      2   0.106608D+02  0.509983D+00  0.120802D+02  0.801269D+01  0.103029D+02
      3  -0.961067D+01  0.393429D+01 -0.118636D+01 -0.268715D+01 -0.793353D+01
      4  -0.265811D+01 -0.204926D+01  0.133226D+02  0.117450D+02 -0.306318D+01
      5  -0.261087D+01 -0.204699D+01  0.151724D+01  0.279846D+01 -0.161656D+01
      6  -0.248590D-01  0.922528D+01  0.125684D+02  0.701855D+01 -0.172405D+01
                71            72            73            74            75 
      1  -0.305790D+01  0.374472D+00  0.141913D+02 -0.130843D+02  0.116931D+02
      2   0.263240D+01  0.604642D+01 -0.153004D+02  0.943723D+01 -0.113129D+02
      3   0.425494D+00 -0.642090D+01  0.110907D+01  0.364709D+01 -0.380239D+00
      4   0.687760D+01 -0.130600D+01 -0.582261D+01  0.299585D+00 -0.130151D+01
      5   0.174635D+01 -0.524070D+01  0.113839D+02 -0.333138D+01  0.874661D+01
      6   0.415200D+01 -0.373221D+01 -0.808761D+01 -0.107564D+01 -0.182287D+01
                76            77            78            79            80 
      1  -0.690216D+01  0.191495D+01  0.148012D+01  0.577595D+01 -0.440725D+00
      2   0.508347D+01 -0.832139D+01  0.690623D+00 -0.614082D+01 -0.228673D+00
      3   0.181868D+01  0.640645D+01 -0.217074D+01  0.364866D+00  0.669398D+00
      4   0.495740D-01  0.116830D+02  0.198487D+01 -0.149744D+01  0.125992D-01
      5  -0.233187D+01  0.291556D+01 -0.159541D+01  0.628663D+01  0.179712D+00
      6   0.302671D-01  0.474566D+01  0.409522D+01 -0.465602D+00  0.376485D+01
                81            82            83            84            85 
      1   0.104430D+02 -0.584749D+01 -0.150931D+01 -0.999635D+01 -0.756718D+00
      2   0.404874D+01  0.959858D+01  0.430628D+01  0.717031D+01  0.313486D+00
      3  -0.144918D+02 -0.375110D+01 -0.279697D+01  0.282604D+01  0.443232D+00
      4   0.114042D+01 -0.108064D+02  0.602901D+01 -0.870009D+01  0.960434D+01
      5  -0.662433D+01 -0.226956D+01 -0.119314D+02  0.345078D+01 -0.112060D+02
      6   0.221420D+01 -0.406342D+01  0.542988D+01 -0.668336D+01  0.437972D+01
                86            87            88            89            90 
      1  -0.681885D+01 -0.538989D+01 -0.919033D+01 -0.577298D+01  0.610174D+01
      2   0.477982D+01 -0.425758D+01  0.480503D+01 -0.856740D+00  0.139105D+01
      3   0.203903D+01  0.964747D+01  0.438530D+01  0.662972D+01 -0.749279D+01
      4  -0.752740D+01  0.969983D+01 -0.381435D+01  0.691871D+01 -0.274209D+01
      5   0.485043D+01 -0.369832D+01  0.269827D+01 -0.126033D+01 -0.692813D+00
      6  -0.342210D+01  0.178413D+01 -0.459299D+01  0.319933D+00  0.602604D+01
                91            92            93            94            95 
      1  -0.820889D+01 -0.139769D+01  0.139991D+02 -0.154226D+01 -0.723141D+00
      2   0.223863D+01  0.212618D+01 -0.178130D+02  0.501179D+01  0.226294D+00
      3   0.597026D+01 -0.728485D+00  0.381399D+01 -0.346953D+01  0.496846D+00
      4   0.122868D+02 -0.884359D+01  0.807623D+01 -0.127880D+02  0.931805D+01
      5   0.358858D+01  0.136193D+02 -0.922152D+01  0.137602D+02 -0.120891D+02
      6   0.107752D+01 -0.152276D+02  0.963775D+01 -0.153676D+02  0.121670D+02
                96            97            98            99           100 
      1   0.673404D+01  0.170851D+02  0.780927D+01 -0.914482D+01  0.271580D+01
      2   0.621104D+01 -0.202414D+02  0.365834D+01  0.486625D+01 -0.269182D+01
      3  -0.129451D+02  0.315629D+01 -0.114676D+02  0.427857D+01 -0.239866D-01
      4  -0.201615D+02  0.118570D+02 -0.240492D+02  0.111810D+02 -0.361507D+01
      5   0.209490D+01 -0.139723D+02  0.454274D+01 -0.162186D+01 -0.146602D+01
      6  -0.538028D+01  0.123830D+02 -0.558154D+01  0.240767D+01  0.607738D+01
               101           102           103           104           105 
      1  -0.410990D+01 -0.114595D+02 -0.242617D+01  0.156221D+02  0.288152D+01
      2   0.593086D+01  0.205571D+02  0.107386D+01 -0.232218D+02 -0.132344D+02
      3  -0.182096D+01 -0.909753D+01  0.135231D+01  0.759967D+01  0.103529D+02
      4  -0.701166D+01  0.120864D+01 -0.346659D+01  0.102455D+02  0.201112D+02
      5  -0.373446D+01 -0.117143D+01 -0.380129D+01  0.877290D+01  0.422937D+01
      6   0.182615D+02 -0.349365D+01  0.176894D+02 -0.189824D+02 -0.120745D+02
               106           107           108           109           110 
      1  -0.145650D+02  0.760377D+01  0.106906D+02  0.292281D+01  0.483117D+01
      2   0.226584D+02 -0.173469D+02 -0.145586D+02 -0.224397D+01 -0.395371D+01
      3  -0.809337D+01  0.974318D+01  0.386802D+01 -0.678841D+00 -0.877453D+00
      4   0.215685D+01  0.243855D+02 -0.128663D+01 -0.718125D+01  0.158706D+01
      5  -0.497730D+00  0.376505D+01  0.121948D+01 -0.280664D+01 -0.296632D+01
      6  -0.405062D+01 -0.181716D+02 -0.106719D+01 -0.666049D+01 -0.809790D+01
               111           112           113           114           115 
      1   0.108035D+01  0.450491D+01 -0.107134D+02 -0.522987D+01  0.240346D+01
      2  -0.106978D+02 -0.556759D+00  0.118792D+02  0.783706D+01 -0.103268D+02
      3   0.961744D+01 -0.394815D+01 -0.116579D+01 -0.260720D+01  0.792332D+01
      4  -0.254622D+01 -0.201364D+01 -0.133836D+02 -0.117918D+02 -0.297098D+01
      5  -0.258076D+01 -0.201650D+01 -0.157122D+01 -0.284005D+01 -0.159791D+01
      6  -0.372452D-01 -0.929682D+01  0.124793D+02  0.704000D+01  0.166988D+01
               116           117           118           119           120 
      1  -0.301201D+01  0.356327D+00  0.324647D+02 -0.267228D+01  0.106517D+02
      2   0.251972D+01  0.611132D+01 -0.184970D+02  0.544243D+01 -0.755301D+01
      3   0.492293D+00 -0.646764D+01 -0.139678D+02 -0.277014D+01 -0.309865D+01
      4  -0.692299D+01  0.124387D+01  0.162249D+02  0.763069D+01  0.334906D+01
      5  -0.177879D+01  0.524554D+01  0.107632D+02 -0.190052D+01  0.958205D+01
      6   0.420303D+01 -0.368243D+01  0.526056D+01 -0.731880D+00  0.536449D+01
               121           122           123           124           125 
      1  -0.832615D+01  0.649554D+01 -0.420259D+01  0.171221D+02 -0.334636D+01
      2   0.747326D+01 -0.567935D+01  0.285024D+01 -0.126317D+02  0.497590D+01
      3   0.852895D+00 -0.816197D+00  0.135235D+01 -0.449035D+01 -0.162954D+01
      4   0.387158D+01 -0.265317D+00  0.307459D+00  0.736091D+01  0.240576D+01
      5  -0.333784D+01  0.258591D+01 -0.230688D+01  0.135535D+02 -0.101336D+00
      6  -0.161904D+01  0.680235D+00  0.349830D+00  0.790888D+01  0.188145D+01
               126           127           128           129           130 
      1   0.952441D+01  0.147789D+02  0.673102D+01 -0.377205D+01  0.237892D+01
      2  -0.808620D+01 -0.371378D+00  0.451911D+01 -0.667610D+00  0.101969D+02
      3  -0.143821D+01 -0.144075D+02 -0.112501D+02  0.443966D+01 -0.125758D+02
      4   0.568382D+01  0.284698D+02  0.229887D+02 -0.122203D+02  0.247283D+02
      5   0.127900D+02 -0.112819D+02 -0.909708D+01  0.100946D+02 -0.864794D+01
      6   0.807201D+01 -0.108233D+02 -0.923696D+01  0.832912D+01 -0.115137D+02
               131           132           133           134           135 
      1  -0.629899D+01  0.148919D+01 -0.240583D+01  0.162205D+01  0.159595D-01
      2   0.235347D+02 -0.723170D+01 -0.271227D+01 -0.773146D+01  0.195862D+01
      3  -0.172357D+02  0.574252D+01  0.511809D+01  0.610941D+01 -0.197458D+01
      4   0.319686D+02 -0.141184D+02 -0.182089D+02 -0.190079D+02  0.169612D+02
      5  -0.112294D+02  0.791303D+01  0.148555D+02  0.120406D+02 -0.151913D+02
      6  -0.169626D+02  0.125550D+02  0.143058D+02  0.166554D+02 -0.177779D+02
               136           137           138           139           140 
      1  -0.561112D+01  0.837665D+01 -0.397783D+01  0.467763D+01 -0.160609D+02
      2   0.864142D+01 -0.150256D+02  0.647009D+01 -0.786787D+01  0.268454D+02
      3  -0.303030D+01  0.664898D+01 -0.249227D+01  0.319024D+01 -0.107845D+02
      4  -0.152793D+02  0.866836D+01 -0.638961D+01  0.660654D+01 -0.480217D+01
      5   0.150838D+01 -0.396273D+00  0.157940D+01 -0.416514D+00  0.814223D+00
      6  -0.792503D+01  0.680578D+01 -0.760620D+01  0.448876D+01 -0.732277D+01
               141           142           143           144           145 
      1   0.464886D+01 -0.656521D+01  0.965288D+01 -0.895840D+01 -0.174697D+01
      2  -0.645912D+01  0.719664D+01 -0.138333D+02  0.985778D+01  0.807695D+01
      3   0.181026D+01 -0.631427D+00  0.418044D+01 -0.899372D+00 -0.632997D+01
      4   0.369573D+01 -0.871737D+01  0.591075D+01 -0.517660D+01  0.118494D+02
      5   0.381455D+00  0.180668D+01  0.607150D+00 -0.232675D+00  0.331507D+01
      6   0.841635D+01 -0.730937D+01  0.144009D+02 -0.159226D+02  0.540678D+01
               146           147           148           149           150 
      1  -0.261996D+01 -0.182919D+01 -0.385903D+01 -0.318903D+02 -0.110656D+02
      2   0.111182D+02  0.461228D+01  0.108055D+02  0.590926D+02  0.180886D+02
      3  -0.849821D+01 -0.278308D+01 -0.694646D+01 -0.272023D+02 -0.702303D+01
      4   0.183289D+02  0.621965D+01  0.132308D+02  0.249580D+02  0.922201D+01
      5   0.523670D+01  0.453622D+01  0.317878D+01  0.871178D+01  0.498061D+01
      6   0.787327D+01  0.450784D+01  0.711649D+01  0.261111D+02  0.168805D+02
               151           152           153           154           155 
      1  -0.307584D+01 -0.168701D+02 -0.125691D+02 -0.569915D+01 -0.843918D+01
      2   0.592093D+01  0.253839D+02  0.152864D+02  0.871820D+01  0.150937D+02
      3  -0.284509D+01 -0.851380D+01 -0.271732D+01 -0.301905D+01 -0.665453D+01
      4   0.672361D+01  0.145172D+02  0.875479D+01  0.151700D+02  0.865648D+01
      5   0.447708D+01  0.796998D+01  0.704484D+01 -0.145526D+01 -0.367570D+00
      6   0.581301D+01  0.258169D+02  0.202442D+02 -0.786573D+01 -0.680515D+01
               156           157           158           159           160 
      1   0.400543D+01 -0.471793D+01 -0.162263D+02  0.471163D+01  0.659279D+01
      2  -0.650084D+01  0.790349D+01  0.271261D+02 -0.656324D+01 -0.722788D+01
      3   0.249541D+01 -0.318555D+01 -0.108999D+02  0.185161D+01  0.635100D+00
      4  -0.631969D+01  0.661858D+01  0.473925D+01 -0.367053D+01 -0.862256D+01
      5   0.154279D+01 -0.399835D+00 -0.783908D+00 -0.409991D+00  0.177109D+01
      6   0.755334D+01 -0.448931D+01 -0.740999D+01  0.845668D+01  0.723878D+01
               161           162           163           164           165 
      1   0.974958D+01 -0.898995D+01 -0.167419D+01  0.259948D+01  0.183432D+01
      2  -0.139750D+02  0.992974D+01  0.805436D+01 -0.111651D+02 -0.465054D+01
      3   0.422546D+01 -0.939788D+00 -0.638017D+01  0.856562D+01  0.281622D+01
      4  -0.585901D+01  0.508692D+01 -0.120311D+02  0.184365D+02  0.630992D+01
      5  -0.661944D+00  0.297657D+00 -0.339350D+01  0.531331D+01  0.460116D+01
      6   0.144413D+02 -0.158818D+02  0.547891D+01 -0.797311D+01 -0.459798D+01
               166           167           168           169           170 
      1   0.385837D+01 -0.315549D+02 -0.109873D+02  0.309513D+01 -0.167633D+02
      2  -0.108569D+02  0.585521D+02  0.179823D+02 -0.597114D+01  0.252422D+02
      3   0.699852D+01 -0.269972D+02 -0.699497D+01  0.287600D+01 -0.847888D+01
      4   0.133232D+02 -0.251102D+02 -0.932932D+01  0.684611D+01 -0.146865D+02
      5   0.324124D+01 -0.879417D+01 -0.504150D+01  0.455511D+01 -0.808412D+01
      6  -0.720828D+01  0.260361D+02  0.168710D+02 -0.593871D+01  0.258186D+02
               171           172           173           174           175 
      1  -0.125301D+02  0.325741D+02  0.276131D+01 -0.106491D+02  0.843207D+01
      2   0.152141D+02 -0.186023D+02 -0.547067D+01  0.756838D+01 -0.751969D+01
      3  -0.268401D+01 -0.139719D+02  0.270937D+01  0.308076D+01 -0.912380D+00
      4  -0.890693D+01 -0.160488D+02  0.759619D+01  0.326003D+01  0.387515D+01
      5  -0.717132D+01 -0.107436D+02 -0.195639D+01  0.957304D+01 -0.338464D+01
      6   0.203279D+02  0.519932D+01  0.751180D+00 -0.531106D+01  0.163461D+01
               176           177           178           179           180 
      1   0.657154D+01 -0.424520D+01 -0.171428D+02 -0.342112D+01  0.955606D+01
      2  -0.576088D+01  0.287721D+01  0.126671D+02  0.502039D+01 -0.812784D+01
      3  -0.810656D+00  0.136799D+01  0.447570D+01 -0.159927D+01 -0.142822D+01
      4   0.384180D+00 -0.317181D+00  0.720581D+01 -0.239441D+01 -0.557970D+01
      5  -0.261668D+01  0.235071D+01  0.135581D+02  0.177138D+00 -0.127894D+02
      6   0.667546D+00  0.331338D+00 -0.784126D+01  0.183646D+01  0.799706D+01
               181           182           183           184           185 
      1   0.150378D+02 -0.682377D+01  0.385341D+01 -0.248089D+01 -0.610159D+01
      2  -0.513548D+00 -0.446247D+01  0.613779D+00 -0.101270D+02  0.232920D+02
      3  -0.145242D+02  0.112862D+02 -0.446719D+01  0.126079D+02 -0.171904D+02
      4  -0.286216D+02  0.230295D+02 -0.122625D+02  0.247884D+02 -0.319410D+02
      5   0.113773D+02 -0.913206D+01  0.101391D+02 -0.868073D+01  0.112097D+02
      6  -0.108562D+02  0.922773D+01 -0.832791D+01  0.114922D+02 -0.168300D+02
               186           187           188           189           190 
      1   0.139471D+01  0.252419D+01  0.148506D+01  0.134655D+00  0.194141D+02
      2  -0.712120D+01  0.261282D+01 -0.757560D+01  0.184657D+01 -0.158156D+02
      3   0.572649D+01 -0.513702D+01  0.609055D+01 -0.198123D+01 -0.359852D+01
      4   0.140884D+02 -0.182505D+02  0.189496D+02 -0.169378D+02  0.159116D+01
      5  -0.791026D+01  0.149177D+02 -0.120259D+02  0.152198D+02  0.146423D+02
      6   0.124797D+02 -0.142815D+02  0.165373D+02 -0.176841D+02  0.801996D+00
               191           192           193           194           195 
      1   0.519037D+01  0.707908D+01  0.757341D+01  0.540195D+01  0.362412D+01
      2  -0.689772D+01 -0.878407D+01 -0.840480D+01 -0.593790D+01 -0.588581D+01
      3   0.170735D+01  0.170499D+01  0.831386D+00  0.535947D+00  0.226169D+01
      4   0.594058D+01  0.183087D+01  0.930145D+00  0.756928D+01  0.390427D+00
      5   0.476764D+01  0.100320D+02  0.106640D+02  0.275183D+01  0.729623D+01
      6   0.135106D+01 -0.417439D+00  0.756353D+00  0.283101D+01  0.252683D+00
               196           197           198           199           200 
      1   0.338384D+01  0.139143D+01  0.180739D+01 -0.263345D+01 -0.216687D+01
      2  -0.656120D+01 -0.214280D+01 -0.746546D+01 -0.139371D+01  0.111422D+01
      3   0.317736D+01  0.751370D+00  0.565807D+01  0.402716D+01  0.105265D+01
      4   0.321383D+01  0.382636D-01  0.221704D+01  0.596724D+01 -0.281762D+01
      5   0.740455D+01  0.382719D+01  0.818854D+01 -0.238076D+01  0.232449D+01
      6   0.513751D+00  0.140778D+01 -0.559017D+00  0.200112D-01 -0.310335D+01
               201           202           203           204           205 
      1   0.675716D+01 -0.619126D+00 -0.470833D+01  0.601295D+01  0.280730D+01
      2   0.103062D+01 -0.509370D+00  0.206377D+01 -0.854709D+00 -0.136430D+01
      3  -0.778778D+01  0.112850D+01  0.264456D+01 -0.515824D+01 -0.144300D+01
      4   0.543547D+00  0.138641D+01 -0.171719D+01  0.306928D+00 -0.267983D+01
      5  -0.444529D+00  0.565385D+00  0.875114D+00 -0.169113D+01  0.396733D+01
      6   0.556566D+01 -0.725753D+00 -0.572151D+01  0.832740D+01  0.565075D-01
               206           207           208           209           210 
      1   0.528370D+01 -0.172677D+02 -0.117342D-01 -0.726234D+01 -0.428110D+01
      2  -0.227639D+00 -0.109317D+02 -0.305222D+00  0.913628D+01  0.179193D+01
      3  -0.505606D+01  0.281994D+02  0.316956D+00 -0.187394D+01  0.248917D+01
      4   0.267818D+01  0.654850D+00  0.169637D+02  0.699025D+01  0.764583D+01
      5  -0.196754D+01  0.107136D+02  0.890215D+01  0.518749D+01  0.533951D+01
      6   0.701457D+01 -0.165849D+02  0.913640D+01  0.106612D+02  0.968550D+01
               211           212           213           214           215 
      1  -0.218682D+01 -0.243130D+01 -0.141107D+01 -0.169928D+01 -0.851956D+00
      2   0.291595D+01  0.605210D+01  0.939370D+00 -0.464258D+00 -0.171120D+01
      3  -0.729123D+00 -0.362080D+01  0.471702D+00  0.216354D+01  0.256315D+01
      4   0.769533D+01  0.746667D+01  0.468119D+01  0.433829D+01  0.414414D+01
      5   0.290517D+01  0.291355D+01  0.230788D+01  0.453070D+01  0.208379D+01
      6   0.536877D+01  0.422867D+01  0.491823D+01  0.534819D+01  0.440043D+01
               216           217           218           219           220 
      1  -0.362732D+01 -0.569599D+00  0.314146D+01  0.226862D+01  0.129267D+00
      2  -0.205780D+01 -0.334387D+01 -0.422799D+01  0.592988D+01 -0.123761D+01
      3   0.568512D+01  0.391347D+01  0.108653D+01 -0.819850D+01  0.110834D+01
      4   0.514014D+01 -0.346483D+01  0.407140D+01  0.423077D+01  0.463475D+00
      5   0.352074D+01 -0.477780D+01  0.171478D+01  0.794820D+01  0.470335D+00
      6   0.782131D+01  0.437236D+01 -0.281457D+01 -0.673761D+01  0.428899D-02
               221           222           223           224           225 
      1   0.290650D+01  0.169790D+01  0.161445D+01 -0.423596D+01 -0.113373D+02
      2  -0.574245D+01  0.201596D+01  0.353740D+01  0.287140D+01 -0.155271D+02
      3   0.283595D+01 -0.371387D+01 -0.515185D+01  0.136456D+01  0.268644D+02
      4   0.186169D+01  0.770255D+00  0.353943D+01 -0.161813D+01 -0.248756D+01
      5  -0.134668D+01  0.762096D+00  0.551814D+01 -0.893282D+00 -0.935734D+01
      6  -0.223474D+01  0.462859D+00 -0.308296D+01  0.575836D+01  0.178329D+02
               226           227           228           229           230 
      1  -0.923977D+00 -0.257204D+00 -0.151925D+01 -0.531408D+01 -0.111343D+02
      2   0.452486D+01 -0.233897D+01  0.187042D+01  0.132808D+01  0.202771D+02
      3  -0.360089D+01  0.259617D+01 -0.351174D+00  0.398600D+01 -0.914283D+01
      4  -0.266118D+01  0.528528D+01  0.460604D+00  0.760277D+01 -0.203678D+02
      5  -0.189108D+01 -0.194572D+00 -0.322581D+00 -0.442468D+01  0.266304D+01
      6   0.640309D+00  0.370288D+00 -0.100688D+00  0.322224D+01 -0.118155D+02
               231           232           233           234           235 
      1   0.166412D+01 -0.542439D+01  0.205992D+01 -0.417319D+01 -0.286980D+01
      2  -0.183030D+00  0.382990D+01  0.816687D+00  0.229227D+01  0.265339D+00
      3  -0.148109D+01  0.159449D+01 -0.287660D+01  0.188091D+01  0.260447D+01
      4   0.371966D+01  0.184031D+01 -0.215520D+01 -0.178435D+01  0.120982D+01
      5  -0.436561D+01 -0.160322D+01 -0.168459D+01 -0.136713D+00 -0.304597D+00
      6   0.508533D+01  0.285062D+00  0.246496D+01 -0.177355D+01  0.151066D+01
               236           237           238           239           240 
      1   0.106742D+01  0.319633D+01  0.388727D+01 -0.338372D+01  0.108531D+01
      2  -0.171877D+01  0.126552D+01 -0.384523D+01  0.743349D+00 -0.321996D+01
      3   0.651349D+00 -0.446185D+01 -0.420368D-01  0.264037D+01  0.213465D+01
      4  -0.574906D+00  0.256739D+00  0.644408D+00 -0.845382D+00  0.214677D+01
      5   0.145883D+01  0.143055D+01  0.200679D+01  0.142519D+01  0.182124D+01
      6  -0.722405D+00  0.186502D+01 -0.255056D-01 -0.186976D+01  0.428681D+01
               241           242           243           244           245 
      1   0.393431D+01  0.360352D+01 -0.198422D+02  0.660640D-01  0.722985D+01
      2  -0.527312D+01  0.501442D+00 -0.153301D+02 -0.378129D+00 -0.911952D+01
      3   0.133881D+01 -0.410497D+01  0.351722D+02  0.312065D+00  0.188967D+01
      4  -0.149068D+01  0.335581D+01 -0.243477D+01 -0.170228D+02  0.701798D+01
      5   0.638535D+01 -0.346174D+01  0.205936D+02 -0.896229D+01  0.520913D+01
      6  -0.121654D+01  0.519148D+01 -0.956228D+01  0.917861D+01 -0.106351D+02
               246           247           248           249           250 
      1   0.424257D+01  0.214324D+01 -0.235398D+01 -0.136921D+01  0.168063D+01
      2  -0.174784D+01 -0.288440D+01  0.595754D+01  0.899829D+00  0.495771D+00
      3  -0.249472D+01  0.741167D+00 -0.360355D+01  0.469376D+00 -0.217640D+01
      4   0.769744D+01  0.767438D+01 -0.744922D+01 -0.466634D+01  0.436878D+01
      5   0.539317D+01  0.290449D+01 -0.289666D+01 -0.230194D+01  0.456494D+01
      6  -0.969696D+01 -0.534323D+01  0.416628D+01  0.488891D+01 -0.535634D+01
               251           252           253           254           255 
      1  -0.830145D+00 -0.360572D+01 -0.580200D+00 -0.319035D+01 -0.230832D+01
      2  -0.173408D+01 -0.208696D+01 -0.334615D+01  0.426531D+01 -0.591257D+01
      3   0.256422D+01  0.569268D+01  0.392635D+01 -0.107496D+01  0.822089D+01
      4  -0.412901D+01 -0.515009D+01  0.347191D+01  0.407271D+01  0.426616D+01
      5  -0.208499D+01 -0.355292D+01  0.477213D+01  0.172581D+01  0.794521D+01
      6   0.439702D+01  0.783584D+01  0.439748D+01  0.285618D+01  0.679502D+01
               256           257           258           259           260 
      1  -0.148241D+00  0.291186D+01  0.168303D+01 -0.162825D+01 -0.426850D+01
      2   0.125244D+01 -0.573309D+01  0.197661D+01 -0.353437D+01  0.286159D+01
      3  -0.110420D+01  0.282123D+01 -0.365963D+01  0.516262D+01  0.140692D+01
      4   0.482524D+00 -0.180439D+01 -0.753358D+00  0.355633D+01  0.161527D+01
      5   0.483360D+00  0.136359D+01 -0.729539D+00  0.551336D+01  0.905093D+00
      6   0.248110D-01 -0.220351D+01  0.498385D+00  0.310212D+01  0.580013D+01
               261           262           263           264           265 
      1  -0.113558D+02  0.195468D+02 -0.521782D+01 -0.709473D+01 -0.757197D+01
      2  -0.154754D+02 -0.158954D+02  0.691734D+01  0.878130D+01  0.838207D+01
      3   0.268313D+02 -0.365137D+01 -0.169952D+01 -0.168657D+01 -0.810095D+00
      4   0.253069D+01 -0.152202D+01  0.594375D+01  0.177979D+01  0.901918D+00
      5   0.931787D+01 -0.146682D+02  0.472908D+01  0.100096D+02  0.106182D+02
      6   0.179050D+02  0.772339D+00 -0.134866D+01  0.445572D+00 -0.734214D+00
               266           267           268           269           270 
      1   0.542012D+01  0.360551D+01 -0.338465D+01  0.137676D+01  0.182132D+01
      2  -0.591422D+01 -0.583179D+01  0.654063D+01 -0.209636D+01 -0.742195D+01
      3   0.494103D+00  0.222627D+01 -0.315598D+01  0.719603D+00  0.560062D+01
      4  -0.753243D+01 -0.336164D+00  0.319545D+01  0.671640D-02 -0.218575D+01
      5  -0.268306D+01 -0.723365D+01  0.736445D+01 -0.379553D+01 -0.811416D+01
      6   0.281748D+01  0.215418D+00 -0.499241D+00  0.138098D+01 -0.569570D+00
               271           272           273           274           275 
      1  -0.258770D+01  0.215719D+01 -0.675144D+01  0.596679D+00 -0.467789D+01
      2  -0.144277D+01 -0.113522D+01 -0.102918D+01  0.511883D+00  0.204500D+01
      3   0.403047D+01 -0.102197D+01  0.778062D+01 -0.110856D+01  0.263289D+01
      4  -0.595538D+01 -0.282834D+01  0.529938D+00  0.135874D+01  0.169094D+01
      5   0.235883D+01  0.232786D+01 -0.429758D+00  0.578587D+00 -0.855210D+00
      6   0.308126D-01  0.310154D+01 -0.555476D+01  0.730920D+00 -0.567156D+01
               276           277           278           279           280 
      1   0.595072D+01 -0.279118D+01  0.525527D+01 -0.172660D+02  0.651713D+01
      2  -0.857725D+00  0.136130D+01 -0.240764D+00 -0.110121D+02 -0.342644D+01
      3  -0.509299D+01  0.142987D+01 -0.501451D+01  0.282781D+02 -0.309069D+01
      4  -0.296919D+00 -0.269584D+01 -0.269449D+01 -0.668538D+00  0.524754D+01
      5   0.165872D+01  0.398101D+01  0.196432D+01 -0.107412D+02  0.808236D+01
      6   0.827259D+01 -0.372178D-01  0.699218D+01 -0.165928D+02  0.241475D+01
               281           282           283           284           285 
      1   0.417524D+01  0.670929D+01  0.782654D+01 -0.767182D+00 -0.221599D+01
      2  -0.170104D+01 -0.369821D+01 -0.397443D+01  0.390887D+01 -0.269896D+00
      3  -0.247420D+01 -0.301108D+01 -0.385211D+01 -0.314169D+01  0.248588D+01
      4   0.532004D+01  0.197189D+01  0.116865D+02  0.250204D+02  0.125817D+02
      5   0.266795D+01  0.508652D+01  0.619234D+01  0.133967D+02  0.143580D+02
      6   0.881786D+00  0.758840D+00  0.424599D+01  0.122194D+02  0.840726D+01
               286           287           288           289           290 
      1   0.781800D+01 -0.213507D+01 -0.111761D+01  0.644289D+02 -0.163476D+02
      2  -0.587515D+01 -0.897709D+00 -0.377910D+01 -0.352592D+02  0.792972D+01
      3  -0.194284D+01  0.303278D+01  0.489671D+01 -0.291697D+02  0.841790D+01
      4   0.348500D+01  0.882648D+01  0.924633D+01 -0.215974D+02  0.134221D+02
      5   0.855900D+01  0.971620D+01  0.137000D+02  0.272014D+02 -0.745002D+01
      6   0.217868D+01  0.752675D+01  0.713012D+01 -0.479022D+01  0.311434D+01
               291           292           293           294           295 
      1   0.166724D+02 -0.250744D+02  0.128134D+02 -0.670674D+01  0.150044D+02
      2  -0.107523D+02  0.123162D+02 -0.522221D+01  0.451949D+01 -0.116515D+02
      3  -0.592003D+01  0.127582D+02 -0.759121D+01  0.218725D+01 -0.335294D+01
      4  -0.642400D+01  0.205925D+02 -0.137106D+02  0.904146D+01 -0.603589D+01
      5   0.169078D+02 -0.121132D+02  0.100688D+02 -0.757853D+01  0.208930D+02
      6  -0.204562D+01  0.557494D+01 -0.354038D+01  0.443166D+01 -0.323268D+01
               296           297           298           299           300 
      1  -0.382623D+01  0.116463D+02  0.641611D+02  0.164708D+02 -0.165453D+02
      2   0.339356D+01 -0.957353D+01 -0.350034D+02 -0.794302D+01  0.106376D+02
      3   0.432663D+00 -0.207275D+01 -0.291577D+02 -0.852777D+01  0.590768D+01
      4   0.589711D+01 -0.570387D+01  0.218814D+02  0.135701D+02 -0.646502D+01
      5  -0.604796D+01  0.129549D+02 -0.269992D+02 -0.746869D+01  0.168004D+02
      6   0.379653D+01 -0.281616D+01 -0.483764D+01 -0.313682D+01  0.207872D+01
               301           302           303           304           305 
      1   0.251756D+02  0.129125D+02 -0.668188D+01 -0.148724D+02 -0.381491D+01
      2  -0.122871D+02 -0.519919D+01  0.447529D+01  0.115253D+02  0.337353D+01
      3  -0.128885D+02 -0.771328D+01  0.220659D+01  0.334718D+01  0.441385D+00
      4   0.208132D+02  0.139488D+02 -0.909148D+01 -0.608203D+01 -0.593444D+01
      5  -0.121134D+02 -0.101086D+02  0.760839D+01  0.207762D+02  0.609312D+01
      6  -0.561196D+01 -0.360265D+01  0.445193D+01  0.328379D+01  0.382314D+01
               306           307           308           309           310 
      1   0.115701D+02  0.663809D+01 -0.420191D+01 -0.671507D+01 -0.792509D+01
      2  -0.948085D+01 -0.348910D+01  0.172320D+01  0.371321D+01  0.404547D+01
      3  -0.208921D+01 -0.314899D+01  0.247870D+01  0.300186D+01  0.387962D+01
      4   0.577065D+01 -0.529866D+01  0.541965D+01  0.201141D+01  0.117834D+02
      5  -0.128462D+02 -0.813437D+01  0.272578D+01  0.516157D+01  0.626095D+01
      6  -0.285037D+01  0.240827D+01 -0.926839D+00 -0.792071D+00 -0.427770D+01
               311           312           313           314           315 
      1  -0.548551D+00 -0.209714D+01 -0.784532D+01 -0.205212D+01 -0.101886D+01
      2   0.371638D+01 -0.362531D+00  0.590415D+01 -0.959799D+00 -0.384337D+01
      3  -0.316783D+01  0.245967D+01  0.194118D+01  0.301192D+01  0.486223D+01
      4  -0.250181D+02 -0.125915D+02  0.349670D+01 -0.883366D+01 -0.924932D+01
      5  -0.134203D+02 -0.143834D+02  0.861450D+01 -0.972824D+01 -0.137248D+02
      6   0.121252D+02  0.833229D+01 -0.219651D+01  0.747544D+01  0.706744D+01
               316           317           318           319           320 
      1  -0.282638D+01 -0.107305D+01 -0.318286D+01 -0.391091D+01 -0.339914D+01
      2   0.230039D+00  0.171198D+01 -0.124671D+01  0.386854D+01  0.763063D+00
      3   0.259634D+01 -0.638930D+00  0.442957D+01  0.423710D-01  0.263608D+01
      4  -0.122266D+01 -0.590435D+00  0.256112D+00  0.606084D+00  0.816841D+00
      5   0.277263D+00  0.145966D+01  0.146060D+01  0.202871D+01 -0.140602D+01
      6   0.151833D+01  0.727976D+00 -0.185923D+01  0.437255D-01 -0.184655D+01
               321           322           323           324           325 
      1   0.105277D+01 -0.392389D+01  0.357045D+01 -0.198346D+02 -0.977271D+00
      2  -0.325577D+01  0.527854D+01  0.487971D+00 -0.153561D+02  0.455107D+01
      3   0.220300D+01 -0.135465D+01 -0.405842D+01  0.351906D+02 -0.357380D+01
      4  -0.213165D+01 -0.151065D+01 -0.335119D+01  0.240131D+01  0.259772D+01
      5  -0.187307D+01  0.639613D+01  0.344647D+01 -0.206236D+02  0.189770D+01
      6   0.425816D+01  0.122714D+01  0.518591D+01 -0.957175D+01  0.645924D+00
               326           327           328           329           330 
      1   0.271668D+00  0.150785D+01  0.531270D+01 -0.112868D+02  0.171539D+01
      2   0.229065D+01 -0.186882D+01 -0.135055D+01  0.204187D+02 -0.240653D+00
      3  -0.256232D+01  0.360964D+00 -0.396215D+01 -0.913187D+01 -0.147474D+01
      4   0.520335D+01  0.475460D+00  0.756640D+01  0.203093D+02 -0.374523D+01
      5  -0.184015D+00 -0.328446D+00 -0.441323D+01 -0.267534D+01  0.435654D+01
      6  -0.327441D+00  0.831782D-01 -0.320296D+01 -0.118886D+02  0.513020D+01
               331           332           333 
      1   0.539667D+01  0.207652D+01 -0.418820D+01
      2  -0.381745D+01  0.797962D+00  0.229315D+01
      3  -0.157921D+01 -0.287448D+01  0.189505D+01
      4   0.185289D+01  0.212854D+01  0.176730D+01
      5  -0.158905D+01  0.167343D+01  0.115753D+00
      6  -0.291964D+00  0.249022D+01 -0.179299D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.890861D-02      0.226434D-01      0.755303D-01
   y         -0.800529D-04     -0.203474D-03     -0.678716D-03
   z          0.100325D-03      0.255002D-03      0.850594D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.150517D+03      0.223043D+02      0.248169D+02
   yx        -0.754235D-03     -0.111766D-03     -0.124356D-03
   yy         0.149050D+03      0.220869D+02      0.245749D+02
   zx        -0.156812D-02     -0.232371D-03     -0.258547D-03
   zy         0.598749D-01      0.887254D-02      0.987204D-02
   zz         0.118804D+03      0.176049D+02      0.195881D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143391D+03      0.212483D+02      0.236419D+02
   aniso      0.312336D+02      0.462833D+01      0.514972D+01
   xx         0.154551D+03      0.229021D+02      0.254820D+02
   yx        -0.139539D-02     -0.206775D-03     -0.230068D-03
   yy         0.153034D+03      0.226773D+02      0.252319D+02
   zx        -0.152742D-02     -0.226340D-03     -0.251837D-03
   zy         0.908915D-01      0.134687D-01      0.149860D-01
   zz         0.122587D+03      0.181655D+02      0.202119D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.35877401          0.08788376         -5.46357659
     6         -1.47772948         -0.20504003         -5.43126830
     7         -2.22504686         -1.46968958         -2.99423412
    45         -0.00105609          0.00023177          0.00035199
     7          2.20894566          1.85361184          2.78749118
     6          0.79117946          4.11834554          3.76473204
     6         -0.51397037          5.38451931          1.56710704
     7         -2.06317300          3.43142715          0.19865746
     7          2.15504566          1.40731295         -3.07171072
     7         -2.14754557         -1.79726140          2.87209759
     6         -0.70366314         -4.03716438          3.86818416
     6          0.55530996         -5.35005810          1.67094759
     7          2.06794465         -3.42522795          0.22379728
     1         -0.56962142          3.46273310          5.16672248
     1          2.07807240          5.41565759          4.71751425
     1          0.85420626          6.16372377          0.23694819
     1         -1.71000739          6.93822435          2.20158996
     1         -0.84015191         -6.16267229          0.39010479
     1          1.76970047         -6.88606436          2.31358653
     1          0.68620151         -3.34809181          5.22484570
     1         -1.96639072         -5.31486827          4.87808581
     1         -2.63270866         -0.66650490          4.35461399
     1         -3.83078621         -2.41895327          2.16705436
     1          2.58068600         -4.17877258         -1.47373911
     1          3.73901844         -3.13819974          1.14137995
     1          1.90604036          3.30388580         -3.30529757
     1          4.05778902          1.19081705         -2.85282106
     1         -2.61559017          4.14870027         -1.50213843
     1         -3.71200974          3.16656617          1.16195061
     1          2.72192455          0.75388310          4.28384604
     1          3.87879014          2.45546235          2.03487456
     1          2.30263937         -1.74285178         -5.52284904
     1          1.98195758          1.15296126         -7.11404937
     1         -2.13438159         -1.30725914         -7.04394006
     1         -2.42298038          1.62414666         -5.51292244
     1         -4.12217698         -1.24341948         -2.73943298
     1         -1.98530439         -3.37165720         -3.19119244

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.890953D-02      0.226458D-01      0.755381D-01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.118809D+03      0.176058D+02      0.195890D+02
   yx         0.212024D+00      0.314186D-01      0.349580D-01
   yy         0.149048D+03      0.220867D+02      0.245747D+02
   zx         0.359287D+00      0.532409D-01      0.592385D-01
   zy         0.987699D-02      0.146362D-02      0.162849D-02
   zz         0.150513D+03      0.223037D+02      0.248162D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143391D+03      0.212483D+02      0.236419D+02
   aniso      0.312336D+02      0.462833D+01      0.514972D+01
   xx         0.122592D+03      0.181662D+02      0.202127D+02
   yx         0.182824D+00      0.270917D-01      0.301436D-01
   yy         0.153033D+03      0.226772D+02      0.252318D+02
   zx         0.362353D+00      0.536951D-01      0.597439D-01
   zy         0.100009D-01      0.148198D-02      0.164892D-02
   zz         0.154547D+03      0.229014D+02      0.254813D+02

 ----------------------------------------------------------------------
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 IN NATURE THERE ARE NEITHER REWARDS OR
 PUNISHMENTS -- THERE ARE CONSEQUENCES.

                            -- ROBERT GREEN INGERSOLL
 Job cpu time:       2 days 19 hours 30 minutes 16.2 seconds.
 Elapsed time:       0 days  4 hours 13 minutes 26.0 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 01:52:21 2021.
